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Pyrisoxazole

CAT: 0572-TRC-P998805-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P998805-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
847749-37-5
Synonyms
3-[5-(4-Chlorophenyl)-2,3-dimethyl-3-isoxazolidinyl]pyridine; 3-[5-(4-Chlorophenyl)-2,3-dimethyl-1,2-oxazolidin-3-yl]pyridine; 3-[5-(4-Chlorophenyl)-2,3-dimethylisooxazolidin-3-yl]pyridine; 3-[5-(4-Chlorophenyl)-2,3-dimethylisoxazolidin-3-yl]pyridine; Dingjunezuo; SYP-Z 048
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
CN1OC(CC1(C)c2cccnc2)c3ccc(Cl)cc3
Molecular Formula
C16 H17 Cl N2 O
Molecular Weight
288.772
InChI
InChI=1S/C16H17ClN2O/c1-16(13-4-3-9-18-11-13)10-15(20-19(16)2)12-5-7-14(17)8-6-12/h3-9,11,15H,10H2,1-2H3
Additionnal Information
IUPAC name: 5-(4-chlorophenyl)-2,3-dimethyl-3-pyridin-3-yl-1,2-oxazolidine
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Pyrisoxazole

3-[5-(4-chlorophenyl)-2,3-dimethyl-1,2-oxazolidin-3-yl]pyridine is a member of the class of oxazolidines that is 2,3-dimethyl-1,2-oxazolidine carrying additional 3-pyridyl and 4-chlorophenyl substituents at positions 3 and 5 respectively. It is a member of pyridines, a member of oxazolidines and a member of monochlorobenzenes.

CAS Number847749-37-5
PubChem CID11512926
IUPAC Name5-(4-chlorophenyl)-2,3-dimethyl-3-pyridin-3-yl-1,2-oxazolidine
Molecular FormulaC16H17ClN2O
Molecular Weight288.77
XLogP3.2
Topological Polar Surface Area25.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity332
SMILES
CC1(CC(ON1C)C2=CC=C(C=C2)Cl)C3=CN=CC=C3
InChI
InChI=1S/C16H17ClN2O/c1-16(13-4-3-9-18-11-13)10-15(20-19(16)2)12-5-7-14(17)8-6-12/h3-9,11,15H,10H2,1-2H3
InChIKey
DHTJFQWHCVTNRY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pyrisoxazole
CAS: 847749-37-5
CID: 11512926
Formula: C16H17ClN2O
MW: 288.77
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight288.77
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass288.1029409
Monoisotopic Mass288.1029409
Topological Polar Surface Area25.4 Ų
Heavy Atom Count20
Formal Charge0
Complexity332
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
XIB74937-01Pyrisoxazole

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