2-methyl-N-(3-methylphenyl)-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide

C18H16N2O3 — CID 110681208

IUPAC2-methyl-N-(3-methylphenyl)-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1cccc(NC(=O)c2c(-c3ccccc3)n(C)oc2=O)c1
InChIInChI=1S/C18H16N2O3/c1-12-7-6-10-14(11-12)19-17(21)15-16(20(2)23-18(15)22)13-8-4-3-5-9-13/h3-11H,1-2H3,(H,19,21)
InChIKeyPQCOXASFZMFHCB-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.21
Rot. Bonds3

About 2-methyl-N-(3-methylphenyl)-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide

2-methyl-N-(3-methylphenyl)-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 110681208) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-methyl-N-(3-methylphenyl)-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(3-methylphenyl)-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID110681208
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name2-methyl-N-(3-methylphenyl)-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1cccc(NC(=O)c2c(-c3ccccc3)n(C)oc2=O)c1
InChIInChI=1S/C18H16N2O3/c1-12-7-6-10-14(11-12)19-17(21)15-16(20(2)23-18(15)22)13-8-4-3-5-9-13/h3-11H,1-2H3,(H,19,21)
InChIKeyPQCOXASFZMFHCB-UHFFFAOYSA-N
XLogP3.21
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-oxo-N,3-diphenyl-1,2-oxazole-4-carboxamide
CID 110681206
N-(2,6-dimethylphenyl)-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide
CID 110681217
N-(2-fluorophenyl)-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide
CID 110681224
N-benzyl-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide
CID 110681169
2-methyl-N-(2-methylpropyl)-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide
CID 110681149
2,6-dihydroxy-N-(3-methylphenyl)benzamide
CID 103748871
N-(3-methylphenyl)-2-oxo-4-phenyl-1H-pyridine-3-carboxamide
CID 110649588
N-(3-methylphenyl)-3-phenylcinnoline-4-carboxamide
CID 46288086
2-ethyl-N-(3-methylphenyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108803513
N-(3-methylphenyl)-1,5-diphenylpyrazole-4-carboxamide
CID 985834
N-(3-methylphenyl)-1,5-diphenyltriazole-4-carboxamide
CID 16651444
N-(3-methylphenyl)furan-3-carboxamide
CID 27007768

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylphenyl)-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 2-methyl-N-(3-methylphenyl)-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide (CID 110681208) is 2-methyl-N-(3-methylphenyl)-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(3-methylphenyl)-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-(3-methylphenyl)-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide is Cc1cccc(NC(=O)c2c(-c3ccccc3)n(C)oc2=O)c1.
What is the InChIKey of 2-methyl-N-(3-methylphenyl)-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is PQCOXASFZMFHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-12-7-6-10-14(11-12)19-17(21)15-16(20(2)23-18(15)22)13-8-4-3-5-9-13/h3-11H,1-2H3,(H,19,21).
What are the key properties of 2-methyl-N-(3-methylphenyl)-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide?
2-methyl-N-(3-methylphenyl)-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylphenyl)-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110681208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).