5-(1-acetamidoethyl)-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid

C15H16N2O5 — CID 163062920

IUPAC5-(1-acetamidoethyl)-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
SMILESCOc1ccc(-c2noc(C(C)NC(C)=O)c2C(=O)O)cc1
InChIInChI=1S/C15H16N2O5/c1-8(16-9(2)18)14-12(15(19)20)13(17-22-14)10-4-6-11(21-3)7-5-10/h4-8H,1-3H3,(H,16,18)(H,19,20)
InChIKeyZBGLNLSGLMZJMR-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.25
Rot. Bonds5

About 5-(1-acetamidoethyl)-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid

5-(1-acetamidoethyl)-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid (PubChem CID 163062920) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is 5-(1-acetamidoethyl)-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(1-acetamidoethyl)-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
PubChem CID163062920
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name5-(1-acetamidoethyl)-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
SMILESCOc1ccc(-c2noc(C(C)NC(C)=O)c2C(=O)O)cc1
InChIInChI=1S/C15H16N2O5/c1-8(16-9(2)18)14-12(15(19)20)13(17-22-14)10-4-6-11(21-3)7-5-10/h4-8H,1-3H3,(H,16,18)(H,19,20)
InChIKeyZBGLNLSGLMZJMR-UHFFFAOYSA-N
XLogP2.25
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 75368231
5-[1-(cyclopentanecarbonylamino)ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 162798343
3-(4-methoxyphenyl)-5-[(1R)-1-(pyrazine-2-carbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid
CID 75368239
5-[(1R)-1-(cyclohexylcarbamoylamino)ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 75368372
5-(1-hydroxyethyl)-3-(4-methoxyphenyl)-N-methyl-1,2-oxazole-4-carboxamide
CID 162801131
5-[1-[(4-methoxyphenyl)methylamino]ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
CID 162807901
5-[(1R)-1-[(4-methoxyphenyl)methylamino]ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid;dihydrochloride
CID 146119629
3-(4-fluorophenyl)-5-[(1R)-1-(phenylcarbamoylamino)ethyl]-1,2-oxazole-4-carboxylic acid
CID 75368379
N-[(3R)-1-[5-[(1S)-1-hydroxyethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide
CID 124877849
3-(4-fluorophenyl)-5-[1-(pyridine-2-carbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid
CID 162798900
3-(4-chlorophenyl)-5-[(1R)-1-(cyclohexanecarbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid
CID 75368247
N-[1-(4-methoxyphenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 17330097

Frequently Asked Questions

What is the IUPAC name of 5-(1-acetamidoethyl)-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-(1-acetamidoethyl)-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid (CID 163062920) is 5-(1-acetamidoethyl)-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(1-acetamidoethyl)-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(1-acetamidoethyl)-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid is COc1ccc(-c2noc(C(C)NC(C)=O)c2C(=O)O)cc1.
What is the InChIKey of 5-(1-acetamidoethyl)-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid?
The InChIKey is ZBGLNLSGLMZJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c1-8(16-9(2)18)14-12(15(19)20)13(17-22-14)10-4-6-11(21-3)7-5-10/h4-8H,1-3H3,(H,16,18)(H,19,20).
What are the key properties of 5-(1-acetamidoethyl)-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid?
5-(1-acetamidoethyl)-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid has a molecular weight of 304.30 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-acetamidoethyl)-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 163062920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).