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

C13H13ClN2O3 — CID 110681056

IUPACN-(4-chloro-2-methylphenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1c(C)n(C)oc1=O
InChIInChI=1S/C13H13ClN2O3/c1-7-6-9(14)4-5-10(7)15-12(17)11-8(2)16(3)19-13(11)18/h4-6H,1-3H3,(H,15,17)
InChIKeyIXJVDWMNOLJHSE-UHFFFAOYSA-N
MW280.71 g/mol
LogP2.50
Rot. Bonds2

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

N-(4-chloro-2-methylphenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide (PubChem CID 110681056) has the molecular formula C13H13ClN2O3 and a molecular weight of 280.71 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide
PubChem CID110681056
Molecular FormulaC13H13ClN2O3
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC NameN-(4-chloro-2-methylphenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1c(C)n(C)oc1=O
InChIInChI=1S/C13H13ClN2O3/c1-7-6-9(14)4-5-10(7)15-12(17)11-8(2)16(3)19-13(11)18/h4-6H,1-3H3,(H,15,17)
InChIKeyIXJVDWMNOLJHSE-UHFFFAOYSA-N
XLogP2.50
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-tert-butylphenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide
CID 110681047
N-(2-chloro-4,6-dimethylphenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide
CID 110681059
N-(4-chloro-2-methylphenyl)-2,4,5-trimethylbenzamide
CID 100708233
N-(4-cyanophenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide
CID 110681138
3,5-diamino-N-(4-chloro-2-methylphenyl)benzamide
CID 61093328
5-chloro-N-(4-chloro-2-methylphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 26114612
N-(4-chloro-2-methylphenyl)-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 1189042
methyl N-(4-chloro-2-methylphenyl)carbamate
CID 3262623
5-acetyl-N,1-bis(4-chloro-2-methylphenyl)-2-methyl-6-oxopyridine-3-carboxamide
CID 162715923
5-chloro-N-(4-chloro-2-methylphenyl)thiophene-2-carboxamide
CID 17432904
5-acetamido-N-(4-chloro-2-methylphenyl)furan-2-carboxamide
CID 110699924
5-chloro-N-(4-chloro-2-methylphenyl)-1-benzofuran-2-carboxamide
CID 9138973

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide (CID 110681056) is N-(4-chloro-2-methylphenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide is Cc1cc(Cl)ccc1NC(=O)c1c(C)n(C)oc1=O.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide?
The InChIKey is IXJVDWMNOLJHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3/c1-7-6-9(14)4-5-10(7)15-12(17)11-8(2)16(3)19-13(11)18/h4-6H,1-3H3,(H,15,17).
What are the key properties of N-(4-chloro-2-methylphenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide?
N-(4-chloro-2-methylphenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide has a molecular weight of 280.71 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110681056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).