4-chloro-N-(2-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide

C13H13ClN2O2 — CID 5307140

IUPAC4-chloro-N-(2-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCCc1ccccc1NC(=O)c1onc(C)c1Cl
InChIInChI=1S/C13H13ClN2O2/c1-3-9-6-4-5-7-10(9)15-13(17)12-11(14)8(2)16-18-12/h4-7H,3H2,1-2H3,(H,15,17)
InChIKeyGRSAJRGTWMJWLU-UHFFFAOYSA-N
MW264.71 g/mol
LogP3.45
Rot. Bonds3

About 4-chloro-N-(2-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide

4-chloro-N-(2-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 5307140) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 4-chloro-N-(2-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID5307140
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name4-chloro-N-(2-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCCc1ccccc1NC(=O)c1onc(C)c1Cl
InChIInChI=1S/C13H13ClN2O2/c1-3-9-6-4-5-7-10(9)15-13(17)12-11(14)8(2)16-18-12/h4-7H,3H2,1-2H3,(H,15,17)
InChIKeyGRSAJRGTWMJWLU-UHFFFAOYSA-N
XLogP3.45
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 6622808
N-(2-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 7669432
N-(3-chloro-4-fluorophenyl)-3-methylisoxazole-5-carboxamide
CID 8065341
4-chloro-N-(3-hydroxyphenyl)-3-methylisoxazole-5-carboxamide
CID 16194510
N-(4-acetylphenyl)-4-chloro-3-methyl-1,2-oxazole-5-carboxamide
CID 17095608
4-chloro-N-(3-chlorophenyl)-3-methylisoxazole-5-carboxamide
CID 20868352
4-chloro-N-(2-hydroxy-5-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 20868353
3-methyl-N-(4-methylphenyl)isoxazole-5-carboxamide
CID 6619782
N-(2-methylphenyl)-4,5,6,7-tetrahydro-2,1-benzisoxazole-3-carboxamide
CID 850473
3-(2-chlorophenyl)-N-phenyl-1,2-oxazole-5-carboxamide
CID 2769309
4-Chloro-3-methyl-N-[2-(methylsulfanyl)phenyl]-1,2-oxazole-5-carboxamide
CID 5307577
N-(3-acetylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 5309251

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of 4-chloro-N-(2-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide (CID 5307140) is 4-chloro-N-(2-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(2-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-(2-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide is CCc1ccccc1NC(=O)c1onc(C)c1Cl.
What is the InChIKey of 4-chloro-N-(2-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is GRSAJRGTWMJWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-3-9-6-4-5-7-10(9)15-13(17)12-11(14)8(2)16-18-12/h4-7H,3H2,1-2H3,(H,15,17).
What are the key properties of 4-chloro-N-(2-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide?
4-chloro-N-(2-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 264.71 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 5307140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).