N-(2-chlorophenyl)-4-methyl-1,2-oxazole-5-carboxamide

C11H9ClN2O2 — CID 110858747

IUPACN-(2-chlorophenyl)-4-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cnoc1C(=O)Nc1ccccc1Cl
InChIInChI=1S/C11H9ClN2O2/c1-7-6-13-16-10(7)11(15)14-9-5-3-2-4-8(9)12/h2-6H,1H3,(H,14,15)
InChIKeyIHSLEXJIGYHDEC-UHFFFAOYSA-N
MW236.66 g/mol
LogP2.89
Rot. Bonds2

About N-(2-chlorophenyl)-4-methyl-1,2-oxazole-5-carboxamide

N-(2-chlorophenyl)-4-methyl-1,2-oxazole-5-carboxamide (PubChem CID 110858747) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-methyl-1,2-oxazole-5-carboxamide
PubChem CID110858747
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC NameN-(2-chlorophenyl)-4-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cnoc1C(=O)Nc1ccccc1Cl
InChIInChI=1S/C11H9ClN2O2/c1-7-6-13-16-10(7)11(15)14-9-5-3-2-4-8(9)12/h2-6H,1H3,(H,14,15)
InChIKeyIHSLEXJIGYHDEC-UHFFFAOYSA-N
XLogP2.89
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]acetic acid
CID 66335090
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 66335883
2-methyl-6-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
CID 66335854
N-(2,6-dimethylphenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 110857529
N-(2-chlorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 4140143
4-chloro-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
CID 66334329
N-(5-chloro-2-methoxyphenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 110859594
3-hydroxy-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
CID 66336599
N-(3-chloro-4-fluorophenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 86768677
N-(2,6-difluoro-3-pyridinyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 103098068
2-chloro-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
CID 66336452
N-(3-chloropyrazin-2-yl)-4-methyl-1,2-oxazole-5-carboxamide
CID 102989712

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-4-methyl-1,2-oxazole-5-carboxamide (CID 110858747) is N-(2-chlorophenyl)-4-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-4-methyl-1,2-oxazole-5-carboxamide is Cc1cnoc1C(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-4-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is IHSLEXJIGYHDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c1-7-6-13-16-10(7)11(15)14-9-5-3-2-4-8(9)12/h2-6H,1H3,(H,14,15).
What are the key properties of N-(2-chlorophenyl)-4-methyl-1,2-oxazole-5-carboxamide?
N-(2-chlorophenyl)-4-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 236.66 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 110858747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).