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

C13H14N2O2 — CID 850891

IUPACN-(2-ethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1cnoc1C
InChIInChI=1S/C13H14N2O2/c1-3-10-6-4-5-7-12(10)15-13(16)11-8-14-17-9(11)2/h4-8H,3H2,1-2H3,(H,15,16)
InChIKeyNRHPCNAPVNUKNE-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.80
Rot. Bonds3

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

N-(2-ethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 850891) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is N-(2-ethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID850891
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC NameN-(2-ethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1cnoc1C
InChIInChI=1S/C13H14N2O2/c1-3-10-6-4-5-7-12(10)15-13(16)11-8-14-17-9(11)2/h4-8H,3H2,1-2H3,(H,15,16)
InChIKeyNRHPCNAPVNUKNE-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

N-[2-(bromomethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 114309588
5-methyl-N-(2-methylphenyl)-1,2-oxazole-4-carboxamide
CID 850304
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-dicarboxamide
CID 4151337
5-methyl-N-(2-phenoxyphenyl)-1,2-oxazole-4-carboxamide
CID 110682649
N-(2-ethylphenyl)-1,2-oxazole-5-carboxamide
CID 110693633
N-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 71393848
N-(2-ethylphenyl)-2,3-dimethylbenzamide
CID 7923827
N-(2-ethylphenyl)-2-methylsulfanylbenzamide
CID 973960
N-(2-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 7669432
N-(2-ethylphenyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81236414
N-(2-ethylphenyl)-2,4-dimethylbenzamide
CID 953221
2-[2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]acetic acid
CID 66335090

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 850891) is N-(2-ethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide is CCc1ccccc1NC(=O)c1cnoc1C.
What is the InChIKey of N-(2-ethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is NRHPCNAPVNUKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-3-10-6-4-5-7-12(10)15-13(16)11-8-14-17-9(11)2/h4-8H,3H2,1-2H3,(H,15,16).
What are the key properties of N-(2-ethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
N-(2-ethylphenyl)-5-methyl-1,2-oxazole-4-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-(2-ethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 850891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).