N-(2-chlorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide

C12H11ClN2O2 — CID 4140143

IUPACN-(2-chlorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccccc2Cl)o1
InChIInChI=1S/C12H11ClN2O2/c1-7-11(17-8(2)14-7)12(16)15-10-6-4-3-5-9(10)13/h3-6H,1-2H3,(H,15,16)
InChIKeyHINDISNZYHOSFL-UHFFFAOYSA-N
MW250.69 g/mol
LogP3.20
Rot. Bonds2

About N-(2-chlorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide

N-(2-chlorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 4140143) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID4140143
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC NameN-(2-chlorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccccc2Cl)o1
InChIInChI=1S/C12H11ClN2O2/c1-7-11(17-8(2)14-7)12(16)15-10-6-4-3-5-9(10)13/h3-6H,1-2H3,(H,15,16)
InChIKeyHINDISNZYHOSFL-UHFFFAOYSA-N
XLogP3.20
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 5307726
2,4-dimethyl-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxamide
CID 110684897
N-(5-chloro-2-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 7113446
3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]naphthalene-2-carboxylic acid
CID 99644527
N-(2-chlorophenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 110858747
N-(3-chloro-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 4142231
N-(4-bromo-3-chlorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 103824749
2-chloro-4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoic acid
CID 81361370
2,4-dimethyl-N-(6-phenylpyridazin-3-yl)-1,3-oxazole-5-carboxamide
CID 71920781
N-(2-chlorophenyl)-4,6-dimethylpyridine-2-carboxamide
CID 19224329
2,4-dimethyl-N-(1H-pyrazol-5-yl)-1,3-oxazole-5-carboxamide
CID 79194088
N-(5-bromo-2-iodophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 113247217

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 4140143) is N-(2-chlorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2ccccc2Cl)o1.
What is the InChIKey of N-(2-chlorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is HINDISNZYHOSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-7-11(17-8(2)14-7)12(16)15-10-6-4-3-5-9(10)13/h3-6H,1-2H3,(H,15,16).
What are the key properties of N-(2-chlorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-(2-chlorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 250.69 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 4140143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).