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Z62954982

CAT: 0607-BA5781-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-BA5781-50Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1090893-12-1
Form
A solid
Molecular Formula
C20H21N3O5S
Molecular Weight
415.46
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-methyl-3-sulfamoylphenyl)benzamide
CAS Number1090893-12-1
PubChem CID9141046
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-methyl-3-sulfamoylphenyl)benzamide
Molecular FormulaC20H21N3O5S
Molecular Weight415.5
XLogP2.4
Topological Polar Surface Area133
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity668
SMILES
CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)OCC3=C(ON=C3C)C)S(=O)(=O)N
InChI
InChI=1S/C20H21N3O5S/c1-12-7-8-16(10-19(12)29(21,25)26)22-20(24)15-5-4-6-17(9-15)27-11-18-13(2)23-28-14(18)3/h4-10H,11H2,1-3H3,(H,22,24)(H2,21,25,26)
InChIKey
OZZQJOAJXMUXCO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-methyl-3-sulfamoylphenyl)benzamide
CAS: 1090893-12-1
CID: 9141046
Formula: C20H21N3O5S
MW: 415.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight415.5
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass415.12019195
Monoisotopic Mass415.12019195
Topological Polar Surface Area133 Ų
Heavy Atom Count29
Formal Charge0
Complexity668
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

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