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

C13H13ClN2O2 — CID 4142231

IUPACN-(3-chloro-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccc(C)c(Cl)c2)o1
InChIInChI=1S/C13H13ClN2O2/c1-7-4-5-10(6-11(7)14)16-13(17)12-8(2)15-9(3)18-12/h4-6H,1-3H3,(H,16,17)
InChIKeyDCWAMTFKXWTGTE-UHFFFAOYSA-N
MW264.71 g/mol
LogP3.51
Rot. Bonds2

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

N-(3-chloro-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 4142231) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID4142231
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC NameN-(3-chloro-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccc(C)c(Cl)c2)o1
InChIInChI=1S/C13H13ClN2O2/c1-7-4-5-10(6-11(7)14)16-13(17)12-8(2)15-9(3)18-12/h4-6H,1-3H3,(H,16,17)
InChIKeyDCWAMTFKXWTGTE-UHFFFAOYSA-N
XLogP3.51
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-(4-methyl-3-sulfamoylphenyl)-1,3-oxazole-5-carboxamide
CID 79164756
N-(5-chloro-2-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 7113446
N-(4-amino-3-bromophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 82861939
N-(3-bromophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 7113434
N-(2-chlorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 4140143
N-(1H-indazol-6-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 110684914
N-(4-cyanophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 79026171
N-(2,6-dimethylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 7113442
N-(3-chloro-4-methylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110756427
N-(4-bromo-3-nitrophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 75440008

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 4142231) is N-(3-chloro-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2ccc(C)c(Cl)c2)o1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is DCWAMTFKXWTGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-7-4-5-10(6-11(7)14)16-13(17)12-8(2)15-9(3)18-12/h4-6H,1-3H3,(H,16,17).
What are the key properties of N-(3-chloro-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-(3-chloro-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 264.71 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 4142231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).