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

C12H12N2O2 — CID 110693634

IUPACN-(4-ethylphenyl)-1,2-oxazole-5-carboxamide
SMILESCCc1ccc(NC(=O)c2ccno2)cc1
InChIInChI=1S/C12H12N2O2/c1-2-9-3-5-10(6-4-9)14-12(15)11-7-8-13-16-11/h3-8H,2H2,1H3,(H,14,15)
InChIKeyNNHOQSDKROZAHW-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.49
Rot. Bonds3

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

N-(4-ethylphenyl)-1,2-oxazole-5-carboxamide (PubChem CID 110693634) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is N-(4-ethylphenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-1,2-oxazole-5-carboxamide
PubChem CID110693634
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC NameN-(4-ethylphenyl)-1,2-oxazole-5-carboxamide
SMILESCCc1ccc(NC(=O)c2ccno2)cc1
InChIInChI=1S/C12H12N2O2/c1-2-9-3-5-10(6-4-9)14-12(15)11-7-8-13-16-11/h3-8H,2H2,1H3,(H,14,15)
InChIKeyNNHOQSDKROZAHW-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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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-1,2-oxazole-5-carboxamide (CID 110693634) is N-(4-ethylphenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-1,2-oxazole-5-carboxamide is CCc1ccc(NC(=O)c2ccno2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is NNHOQSDKROZAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-2-9-3-5-10(6-4-9)14-12(15)11-7-8-13-16-11/h3-8H,2H2,1H3,(H,14,15).
What are the key properties of N-(4-ethylphenyl)-1,2-oxazole-5-carboxamide?
N-(4-ethylphenyl)-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 N-(4-ethylphenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 110693634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).