3-(4-ethoxyphenyl)-1,2-oxazole-4-carboxamide

C12H12N2O3 — CID 870127

IUPAC3-(4-ethoxyphenyl)-1,2-oxazole-4-carboxamide
SMILESCCOc1ccc(-c2nocc2C(N)=O)cc1
InChIInChI=1S/C12H12N2O3/c1-2-16-9-5-3-8(4-6-9)11-10(12(13)15)7-17-14-11/h3-7H,2H2,1H3,(H2,13,15)
InChIKeyLBHCTWDCHHGMBB-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.84
Rot. Bonds4

About 3-(4-ethoxyphenyl)-1,2-oxazole-4-carboxamide

3-(4-ethoxyphenyl)-1,2-oxazole-4-carboxamide (PubChem CID 870127) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-1,2-oxazole-4-carboxamide
PubChem CID870127
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name3-(4-ethoxyphenyl)-1,2-oxazole-4-carboxamide
SMILESCCOc1ccc(-c2nocc2C(N)=O)cc1
InChIInChI=1S/C12H12N2O3/c1-2-16-9-5-3-8(4-6-9)11-10(12(13)15)7-17-14-11/h3-7H,2H2,1H3,(H2,13,15)
InChIKeyLBHCTWDCHHGMBB-UHFFFAOYSA-N
XLogP1.84
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(4-ethoxyphenyl)-1,2-oxazole-4-carboxamide (CID 870127) is 3-(4-ethoxyphenyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(4-ethoxyphenyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(4-ethoxyphenyl)-1,2-oxazole-4-carboxamide is CCOc1ccc(-c2nocc2C(N)=O)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-1,2-oxazole-4-carboxamide?
The InChIKey is LBHCTWDCHHGMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-2-16-9-5-3-8(4-6-9)11-10(12(13)15)7-17-14-11/h3-7H,2H2,1H3,(H2,13,15).
What are the key properties of 3-(4-ethoxyphenyl)-1,2-oxazole-4-carboxamide?
3-(4-ethoxyphenyl)-1,2-oxazole-4-carboxamide has a molecular weight of 232.24 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 870127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).