N-(2,6-dimethylphenyl)-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide

C19H18N2O3 — CID 110681217

IUPACN-(2,6-dimethylphenyl)-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1c(-c2ccccc2)n(C)oc1=O
InChIInChI=1S/C19H18N2O3/c1-12-8-7-9-13(2)16(12)20-18(22)15-17(21(3)24-19(15)23)14-10-5-4-6-11-14/h4-11H,1-3H3,(H,20,22)
InChIKeyXXSQSHUCOTXUIQ-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.51
Rot. Bonds3

About N-(2,6-dimethylphenyl)-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide

N-(2,6-dimethylphenyl)-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 110681217) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID110681217
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-(2,6-dimethylphenyl)-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1c(-c2ccccc2)n(C)oc1=O
InChIInChI=1S/C19H18N2O3/c1-12-8-7-9-13(2)16(12)20-18(22)15-17(21(3)24-19(15)23)14-10-5-4-6-11-14/h4-11H,1-3H3,(H,20,22)
InChIKeyXXSQSHUCOTXUIQ-UHFFFAOYSA-N
XLogP3.51
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.51
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
2-methyl-N-(3-methylphenyl)-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide
CID 110681208
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
2,3-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)-5-oxo-1,2-oxazole-4-carboxamide
CID 110681046
N-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide
CID 110681249
2,4-dimethyl-3-phenyl-1,2-oxazol-5-one
CID 604974
N-(2,6-dimethylphenyl)-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
CID 110857573
N-(2,6-dimethylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 3073010
N-(2,6-difluorophenyl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide
CID 110680924
N-(2,6-dimethylphenyl)-6-methyl-2-(2-methylphenyl)-4-oxo-1-phenylpyridine-3-carboxamide
CID 23040476

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide (CID 110681217) is N-(2,6-dimethylphenyl)-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide is Cc1cccc(C)c1NC(=O)c1c(-c2ccccc2)n(C)oc1=O.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is XXSQSHUCOTXUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-12-8-7-9-13(2)16(12)20-18(22)15-17(21(3)24-19(15)23)14-10-5-4-6-11-14/h4-11H,1-3H3,(H,20,22).
What are the key properties of N-(2,6-dimethylphenyl)-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide?
N-(2,6-dimethylphenyl)-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110681217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).