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

C13H14N2O2 — CID 3238202

IUPACN-(4-ethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(C)on2)cc1
InChIInChI=1S/C13H14N2O2/c1-3-10-4-6-11(7-5-10)14-13(16)12-8-9(2)17-15-12/h4-8H,3H2,1-2H3,(H,14,16)
InChIKeyWAGNQISRDRZMKF-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.80
Rot. Bonds3

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

N-(4-ethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 3238202) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is N-(4-ethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID3238202
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC NameN-(4-ethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(C)on2)cc1
InChIInChI=1S/C13H14N2O2/c1-3-10-4-6-11(7-5-10)14-13(16)12-8-9(2)17-15-12/h4-8H,3H2,1-2H3,(H,14,16)
InChIKeyWAGNQISRDRZMKF-UHFFFAOYSA-N
XLogP2.80
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Isoxazolecarboxamide, 5-methyl-N-(2-(trifluoromethyl)phenyl)-
CID 3073007
Isoxazolo(3,4-d)pyridazin-7(6H)-one, 3,4-dimethyl-6-phenyl-
CID 27537
N-(4-methoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093730
N-(3,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]isoxazole-3-carboxamide
CID 3353691
N-(4-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 6622808
N-cyclopentyl-5-(4-fluorophenyl)isoxazole-3-carboxamide
CID 17252686
N-(2-hydroxy-5-methylphenyl)(5-propylisoxazol-3-yl)carboxamide
CID 17253303
N-(4-ethylphenyl)-5-propyl-3-isoxazolecarboxamide
CID 17253304
3-Isoxazolecarboxamide, 5-methyl-N-(2-(phenylmethyl)phenyl)-
CID 1246614
3-Isoxazolecarboxamide, 5-methyl-N-(2,4,6-trimethylphenyl)-
CID 3076176
N-cyclopentyl-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093736
N-[2-(4-chlorophenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 1245472

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide (CID 3238202) is N-(4-ethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide is CCc1ccc(NC(=O)c2cc(C)on2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is WAGNQISRDRZMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-3-10-4-6-11(7-5-10)14-13(16)12-8-9(2)17-15-12/h4-8H,3H2,1-2H3,(H,14,16).
What are the key properties of N-(4-ethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide?
N-(4-ethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3238202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).