N-[(4-methylsulfonylphenyl)methyl]-1,3-oxazole-4-carboxamide

C12H12N2O4S — CID 141094510

IUPACN-[(4-methylsulfonylphenyl)methyl]-1,3-oxazole-4-carboxamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)c2cocn2)cc1
InChIInChI=1S/C12H12N2O4S/c1-19(16,17)10-4-2-9(3-5-10)6-13-12(15)11-7-18-8-14-11/h2-5,7-8H,6H2,1H3,(H,13,15)
InChIKeyOXMPXDKZIYWVAY-UHFFFAOYSA-N
MW280.31 g/mol
LogP1.01
Rot. Bonds4

About N-[(4-methylsulfonylphenyl)methyl]-1,3-oxazole-4-carboxamide

N-[(4-methylsulfonylphenyl)methyl]-1,3-oxazole-4-carboxamide (PubChem CID 141094510) has the molecular formula C12H12N2O4S and a molecular weight of 280.31 g/mol. Its IUPAC name is N-[(4-methylsulfonylphenyl)methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methylsulfonylphenyl)methyl]-1,3-oxazole-4-carboxamide
PubChem CID141094510
Molecular FormulaC12H12N2O4S
Molecular Weight280.31 g/mol
Exact Mass280.05
IUPAC NameN-[(4-methylsulfonylphenyl)methyl]-1,3-oxazole-4-carboxamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)c2cocn2)cc1
InChIInChI=1S/C12H12N2O4S/c1-19(16,17)10-4-2-9(3-5-10)6-13-12(15)11-7-18-8-14-11/h2-5,7-8H,6H2,1H3,(H,13,15)
InChIKeyOXMPXDKZIYWVAY-UHFFFAOYSA-N
XLogP1.01
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-phenylpyrazole-3-carboxamide
CID 60511850
N-[(4-aminophenyl)methyl]-4-methylsulfonylbenzamide
CID 60892970
6-(4-bromoimidazol-1-yl)-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-carboxamide
CID 59406543
N-benzyl-2-(4-methylsulfonylphenyl)acetamide
CID 110771278
N-[(4-methylsulfonylphenyl)methyl]-1H-benzimidazole-4-carboxamide
CID 141151622
5-(methoxymethyl)-N-[(4-methylsulfonylphenyl)methyl]furan-2-carboxamide
CID 78872860
5-amino-N-[(4-methylsulfonylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617105
3-fluoro-7-N-[(4-methylsulfonylphenyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 162189516
2,2,2-trifluoro-N-[(4-methylsulfonylphenyl)methyl]acetamide
CID 62728038
6-(2-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-carboxamide
CID 59406527
N-[(4-methylsulfonylphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 60511742
6-methyl-N-[(4-methylsulfonylphenyl)methyl]-5-(1,3-oxazol-4-yl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 66725295

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylsulfonylphenyl)methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(4-methylsulfonylphenyl)methyl]-1,3-oxazole-4-carboxamide (CID 141094510) is N-[(4-methylsulfonylphenyl)methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(4-methylsulfonylphenyl)methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(4-methylsulfonylphenyl)methyl]-1,3-oxazole-4-carboxamide is CS(=O)(=O)c1ccc(CNC(=O)c2cocn2)cc1.
What is the InChIKey of N-[(4-methylsulfonylphenyl)methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is OXMPXDKZIYWVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S/c1-19(16,17)10-4-2-9(3-5-10)6-13-12(15)11-7-18-8-14-11/h2-5,7-8H,6H2,1H3,(H,13,15).
What are the key properties of N-[(4-methylsulfonylphenyl)methyl]-1,3-oxazole-4-carboxamide?
N-[(4-methylsulfonylphenyl)methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 280.31 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylsulfonylphenyl)methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 141094510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).