N-(2-methylsulfonylphenyl)-4-(1,3-oxazol-5-yl)benzamide

C17H14N2O4S — CID 75461935

IUPACN-(2-methylsulfonylphenyl)-4-(1,3-oxazol-5-yl)benzamide
SMILESCS(=O)(=O)c1ccccc1NC(=O)c1ccc(-c2cnco2)cc1
InChIInChI=1S/C17H14N2O4S/c1-24(21,22)16-5-3-2-4-14(16)19-17(20)13-8-6-12(7-9-13)15-10-18-11-23-15/h2-11H,1H3,(H,19,20)
InChIKeyILYGFYMMDNUSKW-UHFFFAOYSA-N
MW342.38 g/mol
LogP3.00
Rot. Bonds4

About N-(2-methylsulfonylphenyl)-4-(1,3-oxazol-5-yl)benzamide

N-(2-methylsulfonylphenyl)-4-(1,3-oxazol-5-yl)benzamide (PubChem CID 75461935) has the molecular formula C17H14N2O4S and a molecular weight of 342.38 g/mol. Its IUPAC name is N-(2-methylsulfonylphenyl)-4-(1,3-oxazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(2-methylsulfonylphenyl)-4-(1,3-oxazol-5-yl)benzamide
PubChem CID75461935
Molecular FormulaC17H14N2O4S
Molecular Weight342.38 g/mol
Exact Mass342.07
IUPAC NameN-(2-methylsulfonylphenyl)-4-(1,3-oxazol-5-yl)benzamide
SMILESCS(=O)(=O)c1ccccc1NC(=O)c1ccc(-c2cnco2)cc1
InChIInChI=1S/C17H14N2O4S/c1-24(21,22)16-5-3-2-4-14(16)19-17(20)13-8-6-12(7-9-13)15-10-18-11-23-15/h2-11H,1H3,(H,19,20)
InChIKeyILYGFYMMDNUSKW-UHFFFAOYSA-N
XLogP3.00
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-(2-methylsulfonylphenyl)benzamide
CID 40805420
2-[[4-(1,3-oxazol-5-yl)benzoyl]amino]-N-propylbenzamide
CID 47049831
4-chloro-3-methylsulfonyl-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide
CID 87046723
4-iodo-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide
CID 60811320
1-[4-(1,3-oxazol-5-yl)phenyl]ethanone
CID 22316930
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-4-(1,3-oxazol-5-yl)benzamide
CID 55896611
N-(2,2-dimethyl-3-phenylpropyl)-4-(1,3-oxazol-5-yl)benzamide
CID 86965796
4-(1,3-oxazol-5-yl)-N-prop-2-ynylbenzamide
CID 47262158
N-(2-methylsulfonylphenyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 55534682
N-(6-methoxy-3-pyridinyl)-4-(1,3-oxazol-5-yl)benzamide
CID 51085481
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1,3-oxazol-5-yl)benzamide
CID 47049817
N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-4-(1,3-oxazol-5-yl)benzamide
CID 55819813

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylphenyl)-4-(1,3-oxazol-5-yl)benzamide?
The IUPAC name of N-(2-methylsulfonylphenyl)-4-(1,3-oxazol-5-yl)benzamide (CID 75461935) is N-(2-methylsulfonylphenyl)-4-(1,3-oxazol-5-yl)benzamide.
What is the SMILES notation for N-(2-methylsulfonylphenyl)-4-(1,3-oxazol-5-yl)benzamide?
The canonical SMILES for N-(2-methylsulfonylphenyl)-4-(1,3-oxazol-5-yl)benzamide is CS(=O)(=O)c1ccccc1NC(=O)c1ccc(-c2cnco2)cc1.
What is the InChIKey of N-(2-methylsulfonylphenyl)-4-(1,3-oxazol-5-yl)benzamide?
The InChIKey is ILYGFYMMDNUSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4S/c1-24(21,22)16-5-3-2-4-14(16)19-17(20)13-8-6-12(7-9-13)15-10-18-11-23-15/h2-11H,1H3,(H,19,20).
What are the key properties of N-(2-methylsulfonylphenyl)-4-(1,3-oxazol-5-yl)benzamide?
N-(2-methylsulfonylphenyl)-4-(1,3-oxazol-5-yl)benzamide has a molecular weight of 342.38 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylphenyl)-4-(1,3-oxazol-5-yl)benzamide is sourced from PubChem (CID 75461935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).