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

C13H13ClN2O2 — CID 7113446

IUPACN-(5-chloro-2-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2cc(Cl)ccc2C)o1
InChIInChI=1S/C13H13ClN2O2/c1-7-4-5-10(14)6-11(7)16-13(17)12-8(2)15-9(3)18-12/h4-6H,1-3H3,(H,16,17)
InChIKeyXMGDERGRAIFVOH-UHFFFAOYSA-N
MW264.71 g/mol
LogP3.51
Rot. Bonds2

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

N-(5-chloro-2-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 7113446) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID7113446
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC NameN-(5-chloro-2-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2cc(Cl)ccc2C)o1
InChIInChI=1S/C13H13ClN2O2/c1-7-4-5-10(14)6-11(7)16-13(17)12-8(2)15-9(3)18-12/h4-6H,1-3H3,(H,16,17)
InChIKeyXMGDERGRAIFVOH-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-(2-chlorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 4140143
N-(2,3-dimethylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 5307726
N-(5-chloro-2-methylphenyl)-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 38484325
N-(5-chloro-2-fluorophenyl)-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide
CID 71871784
4-[(5-chloro-2-methylphenyl)carbamoyl]benzoic acid
CID 43386540
N-(5-chloro-2-methylphenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110859086
3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]-2,6-difluorobenzoic acid
CID 118177022
N-(5-chloro-2-methylphenyl)-1,3-oxazole-4-carboxamide
CID 110689561
N-(5-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide
CID 47255494
N-(5-chloro-2-methylphenyl)-3,5-dimethylbenzamide
CID 918666
N-(5-chloro-2-methylphenyl)-2,4,6-trimethylbenzamide
CID 675121
N-(5-chloro-1-ethylbenzimidazol-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 84594039

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 7113446) is N-(5-chloro-2-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2cc(Cl)ccc2C)o1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is XMGDERGRAIFVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-7-4-5-10(14)6-11(7)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-(5-chloro-2-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-(5-chloro-2-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-(5-chloro-2-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 7113446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).