3-(azepan-1-ylsulfonyl)-N-(1,2-oxazol-3-yl)benzamide

C16H19N3O4S — CID 977323

IUPAC3-(azepan-1-ylsulfonyl)-N-(1,2-oxazol-3-yl)benzamide
SMILESO=C(Nc1ccon1)c1cccc(S(=O)(=O)N2CCCCCC2)c1
InChIInChI=1S/C16H19N3O4S/c20-16(17-15-8-11-23-18-15)13-6-5-7-14(12-13)24(21,22)19-9-3-1-2-4-10-19/h5-8,11-12H,1-4,9-10H2,(H,17,18,20)
InChIKeyCAPVCJGFHFIRLN-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.49
Rot. Bonds4

About 3-(azepan-1-ylsulfonyl)-N-(1,2-oxazol-3-yl)benzamide

3-(azepan-1-ylsulfonyl)-N-(1,2-oxazol-3-yl)benzamide (PubChem CID 977323) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is 3-(azepan-1-ylsulfonyl)-N-(1,2-oxazol-3-yl)benzamide.

Molecular Properties

Compound Name3-(azepan-1-ylsulfonyl)-N-(1,2-oxazol-3-yl)benzamide
PubChem CID977323
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name3-(azepan-1-ylsulfonyl)-N-(1,2-oxazol-3-yl)benzamide
SMILESO=C(Nc1ccon1)c1cccc(S(=O)(=O)N2CCCCCC2)c1
InChIInChI=1S/C16H19N3O4S/c20-16(17-15-8-11-23-18-15)13-6-5-7-14(12-13)24(21,22)19-9-3-1-2-4-10-19/h5-8,11-12H,1-4,9-10H2,(H,17,18,20)
InChIKeyCAPVCJGFHFIRLN-UHFFFAOYSA-N
XLogP2.49
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide
CID 2344800
N-(5-methyl-3-isoxazolyl)-4-[methyl(phenylsulfonyl)amino]benzamide
CID 1310191
N-(5-Methyl-isoxazol-3-yl)-3-p-tolylsulfamoyl-benzamide
CID 1253133
N-(5-methyl-1,2-oxazol-3-yl)-3-[(2-oxo-4-phenylpyrrolidin-1-yl)sulfonyl]benzamide
CID 4431371
4-[benzyl(propan-2-yl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 7189756
N-3-isoxazolyl-3-(1-piperidinylsulfonyl)benzamide
CID 2952736
4-(azepan-1-ylsulfonyl)-N-(1,2-oxazol-3-yl)benzamide
CID 969735
N-(5-tert-butylisoxazol-3-yl)-3-(morpholin-4-ylsulfonyl)benzamide
CID 1217143
N-(5-methyl-1,2-oxazol-3-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 2379774
4-(diethylsulfamoyl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 4963102
N-(1,2-oxazol-3-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
CID 7422978
4-(N-methyl-N-((tetrahydrofuran-2-yl)methyl)sulfamoyl)-N-(5-methylisoxazol-3-yl)benzamide
CID 16188332

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-ylsulfonyl)-N-(1,2-oxazol-3-yl)benzamide?
The IUPAC name of 3-(azepan-1-ylsulfonyl)-N-(1,2-oxazol-3-yl)benzamide (CID 977323) is 3-(azepan-1-ylsulfonyl)-N-(1,2-oxazol-3-yl)benzamide.
What is the SMILES notation for 3-(azepan-1-ylsulfonyl)-N-(1,2-oxazol-3-yl)benzamide?
The canonical SMILES for 3-(azepan-1-ylsulfonyl)-N-(1,2-oxazol-3-yl)benzamide is O=C(Nc1ccon1)c1cccc(S(=O)(=O)N2CCCCCC2)c1.
What is the InChIKey of 3-(azepan-1-ylsulfonyl)-N-(1,2-oxazol-3-yl)benzamide?
The InChIKey is CAPVCJGFHFIRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c20-16(17-15-8-11-23-18-15)13-6-5-7-14(12-13)24(21,22)19-9-3-1-2-4-10-19/h5-8,11-12H,1-4,9-10H2,(H,17,18,20).
What are the key properties of 3-(azepan-1-ylsulfonyl)-N-(1,2-oxazol-3-yl)benzamide?
3-(azepan-1-ylsulfonyl)-N-(1,2-oxazol-3-yl)benzamide has a molecular weight of 349.41 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-ylsulfonyl)-N-(1,2-oxazol-3-yl)benzamide is sourced from PubChem (CID 977323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).