3-(4-methylphenyl)-N-methylsulfonyl-1,2-oxazole-5-carboxamide

C12H12N2O4S — CID 47269641

IUPAC3-(4-methylphenyl)-N-methylsulfonyl-1,2-oxazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NS(C)(=O)=O)on2)cc1
InChIInChI=1S/C12H12N2O4S/c1-8-3-5-9(6-4-8)10-7-11(18-13-10)12(15)14-19(2,16)17/h3-7H,1-2H3,(H,14,15)
InChIKeySOJYBGIOFPJSRJ-UHFFFAOYSA-N
MW280.31 g/mol
LogP1.34
Rot. Bonds3

About 3-(4-methylphenyl)-N-methylsulfonyl-1,2-oxazole-5-carboxamide

3-(4-methylphenyl)-N-methylsulfonyl-1,2-oxazole-5-carboxamide (PubChem CID 47269641) has the molecular formula C12H12N2O4S and a molecular weight of 280.31 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-methylsulfonyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-methylsulfonyl-1,2-oxazole-5-carboxamide
PubChem CID47269641
Molecular FormulaC12H12N2O4S
Molecular Weight280.31 g/mol
Exact Mass280.05
IUPAC Name3-(4-methylphenyl)-N-methylsulfonyl-1,2-oxazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NS(C)(=O)=O)on2)cc1
InChIInChI=1S/C12H12N2O4S/c1-8-3-5-9(6-4-8)10-7-11(18-13-10)12(15)14-19(2,16)17/h3-7H,1-2H3,(H,14,15)
InChIKeySOJYBGIOFPJSRJ-UHFFFAOYSA-N
XLogP1.34
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(4-methylphenyl)-1,2-oxazole-5-carboxylate
CID 776547
3-[4-(methanesulfonamido)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117453436
N-(4-methylcyclohexyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 46427023
2-methyl-3-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]propanoic acid
CID 119237689
N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 38496686
N-(1-amino-2-methylpropan-2-yl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide;hydrochloride
CID 119522065
4-methyl-4-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]pentanoic acid
CID 119204643
N-(3-fluorophenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 46427554
3-(4-methylphenyl)-N-(1-propylsulfonylpiperidin-4-yl)-1,2-oxazole-5-carboxamide
CID 46480197
3-methyl-2-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]pentanoic acid
CID 119212192
N-[3-(tert-butylsulfamoyl)phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 55668639
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 55786487

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-methylsulfonyl-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(4-methylphenyl)-N-methylsulfonyl-1,2-oxazole-5-carboxamide (CID 47269641) is 3-(4-methylphenyl)-N-methylsulfonyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-methylsulfonyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(4-methylphenyl)-N-methylsulfonyl-1,2-oxazole-5-carboxamide is Cc1ccc(-c2cc(C(=O)NS(C)(=O)=O)on2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-methylsulfonyl-1,2-oxazole-5-carboxamide?
The InChIKey is SOJYBGIOFPJSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S/c1-8-3-5-9(6-4-8)10-7-11(18-13-10)12(15)14-19(2,16)17/h3-7H,1-2H3,(H,14,15).
What are the key properties of 3-(4-methylphenyl)-N-methylsulfonyl-1,2-oxazole-5-carboxamide?
3-(4-methylphenyl)-N-methylsulfonyl-1,2-oxazole-5-carboxamide has a molecular weight of 280.31 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-methylsulfonyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 47269641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).