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

C15H11ClN2O3 — CID 53067173

IUPACN-(4-chlorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
SMILESCn1c(=O)oc2ccc(C(=O)Nc3ccc(Cl)cc3)cc21
InChIInChI=1S/C15H11ClN2O3/c1-18-12-8-9(2-7-13(12)21-15(18)20)14(19)17-11-5-3-10(16)4-6-11/h2-8H,1H3,(H,17,19)
InChIKeyGQSSQWMOQBAIHW-UHFFFAOYSA-N
MW302.72 g/mol
LogP3.04
Rot. Bonds2

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

N-(4-chlorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide (PubChem CID 53067173) has the molecular formula C15H11ClN2O3 and a molecular weight of 302.72 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
PubChem CID53067173
Molecular FormulaC15H11ClN2O3
Molecular Weight302.72 g/mol
Exact Mass302.05
IUPAC NameN-(4-chlorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
SMILESCn1c(=O)oc2ccc(C(=O)Nc3ccc(Cl)cc3)cc21
InChIInChI=1S/C15H11ClN2O3/c1-18-12-8-9(2-7-13(12)21-15(18)20)14(19)17-11-5-3-10(16)4-6-11/h2-8H,1H3,(H,17,19)
InChIKeyGQSSQWMOQBAIHW-UHFFFAOYSA-N
XLogP3.04
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 110683329
N-(4-acetylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766586
methyl 3-[(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)amino]benzoate
CID 110683349
N-(4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766557
N-tert-butyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 110683308
N',3-dimethyl-2-oxo-1,3-benzoxazole-5-carbohydrazide
CID 116846930
N-(1H-indazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 110683355
3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 82491054
methyl 2-[(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)amino]benzoate
CID 110683348
N-(4-ethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766573
4-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide
CID 110721732
N-benzyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 110683274

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide (CID 53067173) is N-(4-chlorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide is Cn1c(=O)oc2ccc(C(=O)Nc3ccc(Cl)cc3)cc21.
What is the InChIKey of N-(4-chlorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide?
The InChIKey is GQSSQWMOQBAIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O3/c1-18-12-8-9(2-7-13(12)21-15(18)20)14(19)17-11-5-3-10(16)4-6-11/h2-8H,1H3,(H,17,19).
What are the key properties of N-(4-chlorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide?
N-(4-chlorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide has a molecular weight of 302.72 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 53067173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).