3-methyl-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-oxo-1,3-benzoxazole-7-carboxamide

C20H18N4O3 — CID 75514169

IUPAC3-methyl-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-oxo-1,3-benzoxazole-7-carboxamide
SMILESCc1cc(NC(=O)c2cccc3c2oc(=O)n3C)n(-c2ccccc2C)n1
InChIInChI=1S/C20H18N4O3/c1-12-7-4-5-9-15(12)24-17(11-13(2)22-24)21-19(25)14-8-6-10-16-18(14)27-20(26)23(16)3/h4-11H,1-3H3,(H,21,25)
InChIKeyMTKWWCPWISUYTO-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.19
Rot. Bonds3

About 3-methyl-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-oxo-1,3-benzoxazole-7-carboxamide

3-methyl-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-oxo-1,3-benzoxazole-7-carboxamide (PubChem CID 75514169) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 3-methyl-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-oxo-1,3-benzoxazole-7-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-oxo-1,3-benzoxazole-7-carboxamide
PubChem CID75514169
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name3-methyl-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-oxo-1,3-benzoxazole-7-carboxamide
SMILESCc1cc(NC(=O)c2cccc3c2oc(=O)n3C)n(-c2ccccc2C)n1
InChIInChI=1S/C20H18N4O3/c1-12-7-4-5-9-15(12)24-17(11-13(2)22-24)21-19(25)14-8-6-10-16-18(14)27-20(26)23(16)3/h4-11H,1-3H3,(H,21,25)
InChIKeyMTKWWCPWISUYTO-UHFFFAOYSA-N
XLogP3.19
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methyl-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-oxo-1,3-benzoxazole-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide
CID 75514166
3-methyl-2-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-benzoxazole-7-carboxamide
CID 75446985
3,7-dimethyl-1,3-benzoxazol-2-one
CID 76847960
2-bromo-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]acetamide
CID 63679280
2-chloro-3-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 138993742
2-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 3741602
2-methyl-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135752917
N-(5-tert-butyl-1,3-thiazol-2-yl)-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide
CID 132971353
2-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide
CID 53007873
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide
CID 75469833
N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide
CID 60591904
2-chloro-N-[5-methyl-2-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]benzamide
CID 136604575

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-oxo-1,3-benzoxazole-7-carboxamide?
The IUPAC name of 3-methyl-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-oxo-1,3-benzoxazole-7-carboxamide (CID 75514169) is 3-methyl-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-oxo-1,3-benzoxazole-7-carboxamide.
What is the SMILES notation for 3-methyl-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-oxo-1,3-benzoxazole-7-carboxamide?
The canonical SMILES for 3-methyl-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-oxo-1,3-benzoxazole-7-carboxamide is Cc1cc(NC(=O)c2cccc3c2oc(=O)n3C)n(-c2ccccc2C)n1.
What is the InChIKey of 3-methyl-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-oxo-1,3-benzoxazole-7-carboxamide?
The InChIKey is MTKWWCPWISUYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-12-7-4-5-9-15(12)24-17(11-13(2)22-24)21-19(25)14-8-6-10-16-18(14)27-20(26)23(16)3/h4-11H,1-3H3,(H,21,25).
What are the key properties of 3-methyl-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-oxo-1,3-benzoxazole-7-carboxamide?
3-methyl-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-oxo-1,3-benzoxazole-7-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-oxo-1,3-benzoxazole-7-carboxamide is sourced from PubChem (CID 75514169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).