N-(3-chloro-4-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide

C16H13ClN2O3 — CID 110683329

IUPACN-(3-chloro-4-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3oc(=O)n(C)c3c2)cc1Cl
InChIInChI=1S/C16H13ClN2O3/c1-9-3-5-11(8-12(9)17)18-15(20)10-4-6-14-13(7-10)19(2)16(21)22-14/h3-8H,1-2H3,(H,18,20)
InChIKeyUFWLVMGBCBURFI-UHFFFAOYSA-N
MW316.74 g/mol
LogP3.35
Rot. Bonds2

About N-(3-chloro-4-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide

N-(3-chloro-4-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide (PubChem CID 110683329) has the molecular formula C16H13ClN2O3 and a molecular weight of 316.74 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
PubChem CID110683329
Molecular FormulaC16H13ClN2O3
Molecular Weight316.74 g/mol
Exact Mass316.06
IUPAC NameN-(3-chloro-4-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3oc(=O)n(C)c3c2)cc1Cl
InChIInChI=1S/C16H13ClN2O3/c1-9-3-5-11(8-12(9)17)18-15(20)10-4-6-14-13(7-10)19(2)16(21)22-14/h3-8H,1-2H3,(H,18,20)
InChIKeyUFWLVMGBCBURFI-UHFFFAOYSA-N
XLogP3.35
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.74
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067173
methyl 3-[(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)amino]benzoate
CID 110683349
N-(1H-indazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 110683355
N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 710602
N-(3-chloro-4-methylphenyl)-4-hydroxy-3-methylbenzamide
CID 103951695
3-bromo-N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 952306
N',3-dimethyl-2-oxo-1,3-benzoxazole-5-carbohydrazide
CID 116846930
N-tert-butyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 110683308
4-bromo-3-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 81307032
N-(4-acetylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766586
N-(3-chloro-4-methylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110756427
4-[(3-chloro-4-methylbenzoyl)amino]benzoic acid
CID 28914625

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide (CID 110683329) is N-(3-chloro-4-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide is Cc1ccc(NC(=O)c2ccc3oc(=O)n(C)c3c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide?
The InChIKey is UFWLVMGBCBURFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3/c1-9-3-5-11(8-12(9)17)18-15(20)10-4-6-14-13(7-10)19(2)16(21)22-14/h3-8H,1-2H3,(H,18,20).
What are the key properties of N-(3-chloro-4-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide?
N-(3-chloro-4-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide has a molecular weight of 316.74 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 110683329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).