N-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide

C12H11ClN2O3 — CID 2470130

IUPACN-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C)on2)cc1Cl
InChIInChI=1S/C12H11ClN2O3/c1-7-5-10(15-18-7)12(16)14-8-3-4-11(17-2)9(13)6-8/h3-6H,1-2H3,(H,14,16)
InChIKeyGEAIBFNYHULXCU-UHFFFAOYSA-N
MW266.68 g/mol
LogP2.90
Rot. Bonds3

About N-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide

N-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 2470130) has the molecular formula C12H11ClN2O3 and a molecular weight of 266.68 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID2470130
Molecular FormulaC12H11ClN2O3
Molecular Weight266.68 g/mol
Exact Mass266.05
IUPAC NameN-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C)on2)cc1Cl
InChIInChI=1S/C12H11ClN2O3/c1-7-5-10(15-18-7)12(16)14-8-3-4-11(17-2)9(13)6-8/h3-6H,1-2H3,(H,14,16)
InChIKeyGEAIBFNYHULXCU-UHFFFAOYSA-N
XLogP2.90
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-2-carboxamide
CID 109199598
N-(5-acetamido-2-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 17417372
2-chloro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid
CID 61398577
N-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 131933694
3-tert-butyl-N-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 110421424
N-(3-chloro-4-methoxyphenyl)-6-methoxypyridazine-3-carboxamide
CID 90509434
5-methyl-N-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 3236095
N-(3-chloro-4-methoxyphenyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 55572102
N-(3-chloro-4-methoxyphenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 110859494
6-[(3-chloro-4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558305
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
6-bromo-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide
CID 113343016

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide (CID 2470130) is N-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide is COc1ccc(NC(=O)c2cc(C)on2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is GEAIBFNYHULXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3/c1-7-5-10(15-18-7)12(16)14-8-3-4-11(17-2)9(13)6-8/h3-6H,1-2H3,(H,14,16).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide?
N-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 266.68 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 2470130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).