3-ethyl-N-phenyl-1,2-oxazole-5-carboxamide

C12H12N2O2 — CID 15692911

IUPAC3-ethyl-N-phenyl-1,2-oxazole-5-carboxamide
SMILESCCc1cc(C(=O)Nc2ccccc2)on1
InChIInChI=1S/C12H12N2O2/c1-2-9-8-11(16-14-9)12(15)13-10-6-4-3-5-7-10/h3-8H,2H2,1H3,(H,13,15)
InChIKeyIIKIUGJQHJRJFB-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.49
Rot. Bonds3

About 3-ethyl-N-phenyl-1,2-oxazole-5-carboxamide

3-ethyl-N-phenyl-1,2-oxazole-5-carboxamide (PubChem CID 15692911) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-ethyl-N-phenyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-phenyl-1,2-oxazole-5-carboxamide
PubChem CID15692911
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name3-ethyl-N-phenyl-1,2-oxazole-5-carboxamide
SMILESCCc1cc(C(=O)Nc2ccccc2)on1
InChIInChI=1S/C12H12N2O2/c1-2-9-8-11(16-14-9)12(15)13-10-6-4-3-5-7-10/h3-8H,2H2,1H3,(H,13,15)
InChIKeyIIKIUGJQHJRJFB-UHFFFAOYSA-N
XLogP2.49
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-benzamidophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 43911460
3-ethyl-1,2-oxazole-5-carboxamide
CID 22456645
3-methyl-N-[3-[(2-phenylacetyl)amino]phenyl]-1,2-oxazole-5-carboxamide
CID 43911461
N-(3-benzamidophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 43911458
3-ethyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]-1,2-oxazole-5-carboxamide
CID 110260343
3-methyl-N-[4-(2-phenoxyethoxy)phenyl]-1,2-oxazole-5-carboxamide
CID 43911371
3-[(4-ethylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369156
N-[4-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 104954922
N-[3-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 63254601
(2S)-2-[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]-N-phenylbutanamide
CID 95144078
N-(2-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 7669432
3-methyl-N-(3-phenoxyphenyl)-1,2-oxazole-5-carboxamide
CID 51204920

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-phenyl-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-ethyl-N-phenyl-1,2-oxazole-5-carboxamide (CID 15692911) is 3-ethyl-N-phenyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-ethyl-N-phenyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-ethyl-N-phenyl-1,2-oxazole-5-carboxamide is CCc1cc(C(=O)Nc2ccccc2)on1.
What is the InChIKey of 3-ethyl-N-phenyl-1,2-oxazole-5-carboxamide?
The InChIKey is IIKIUGJQHJRJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-2-9-8-11(16-14-9)12(15)13-10-6-4-3-5-7-10/h3-8H,2H2,1H3,(H,13,15).
What are the key properties of 3-ethyl-N-phenyl-1,2-oxazole-5-carboxamide?
3-ethyl-N-phenyl-1,2-oxazole-5-carboxamide has a molecular weight of 216.24 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-phenyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 15692911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).