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Compound Fr16752

CAT: 0931-Fr16752-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr16752-02Size:25 mg
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CAS Number
19947-75-2
Bioactivity
Compound Fr16752, with CAS No. 19947-75-2, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr16752 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
CC1=NOC(N)=C1C
Molecular Formula
C5H8N2O
Molecular Weight
112.1298
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-Amino-3,4-dimethylisoxazole

structure given in first source

CAS Number19947-75-2
PubChem CID88317
IUPAC Name3,4-dimethyl-1,2-oxazol-5-amine
Molecular FormulaC5H8N2O
Molecular Weight112.13
XLogP0.8
Topological Polar Surface Area52.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity86
SMILES
CC1=C(ON=C1C)N
InChI
InChI=1S/C5H8N2O/c1-3-4(2)7-8-5(3)6/h6H2,1-2H3
InChIKey
PYNDWPFZDQONDV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Amino-3,4-dimethylisoxazole
CAS: 19947-75-2
CID: 88317
Formula: C5H8N2O
MW: 112.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight112.13
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass112.063662883
Monoisotopic Mass112.063662883
Topological Polar Surface Area52.1 Ų
Heavy Atom Count8
Formal Charge0
Complexity86.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
Fr16712-01Compound Fr16712
Fr16757-01Compound Fr16757
Fr16755-01Compound Fr16755
Fr16754-01Compound Fr16754
Fr16751-01Compound Fr16751
Fr16753-01Compound Fr16753
Fr13752-01Compound Fr13752
Fr16725-01Compound Fr16725
Fr16652-01Compound Fr16652
Fr16722-01Compound Fr16722

Alternative Products

CatalogName
ALX-550-516-M025Compound A
C8444-50Compound C108
C5824-10GPR120 Compound A
A8197-5.1Compound 56
B7337-5Compound 401
XXC35825-01Compound 3a
HY-14176-01Compound E
HY-U00358Compound 2
1898-200Compound 34
2573-5Compound 112254

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