2-[2-(3-prop-2-enoxycarbonylphenyl)-1,3-oxazol-4-yl]acetic acid

C15H13NO5 — CID 174407179

IUPAC2-[2-(3-prop-2-enoxycarbonylphenyl)-1,3-oxazol-4-yl]acetic acid
SMILESC=CCOC(=O)c1cccc(-c2nc(CC(=O)O)co2)c1
InChIInChI=1S/C15H13NO5/c1-2-6-20-15(19)11-5-3-4-10(7-11)14-16-12(9-21-14)8-13(17)18/h2-5,7,9H,1,6,8H2,(H,17,18)
InChIKeyGBZYNYLCTYEILP-UHFFFAOYSA-N
MW287.27 g/mol
LogP2.31
Rot. Bonds6

About 2-[2-(3-prop-2-enoxycarbonylphenyl)-1,3-oxazol-4-yl]acetic acid

2-[2-(3-prop-2-enoxycarbonylphenyl)-1,3-oxazol-4-yl]acetic acid (PubChem CID 174407179) has the molecular formula C15H13NO5 and a molecular weight of 287.27 g/mol. Its IUPAC name is 2-[2-(3-prop-2-enoxycarbonylphenyl)-1,3-oxazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(3-prop-2-enoxycarbonylphenyl)-1,3-oxazol-4-yl]acetic acid
PubChem CID174407179
Molecular FormulaC15H13NO5
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Name2-[2-(3-prop-2-enoxycarbonylphenyl)-1,3-oxazol-4-yl]acetic acid
SMILESC=CCOC(=O)c1cccc(-c2nc(CC(=O)O)co2)c1
InChIInChI=1S/C15H13NO5/c1-2-6-20-15(19)11-5-3-4-10(7-11)14-16-12(9-21-14)8-13(17)18/h2-5,7,9H,1,6,8H2,(H,17,18)
InChIKeyGBZYNYLCTYEILP-UHFFFAOYSA-N
XLogP2.31
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-prop-2-enoxycarbonylphenyl)-1,3-oxazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(3-prop-2-enoxycarbonylphenyl)-1,3-oxazol-4-yl]acetic acid (CID 174407179) is 2-[2-(3-prop-2-enoxycarbonylphenyl)-1,3-oxazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(3-prop-2-enoxycarbonylphenyl)-1,3-oxazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(3-prop-2-enoxycarbonylphenyl)-1,3-oxazol-4-yl]acetic acid is C=CCOC(=O)c1cccc(-c2nc(CC(=O)O)co2)c1.
What is the InChIKey of 2-[2-(3-prop-2-enoxycarbonylphenyl)-1,3-oxazol-4-yl]acetic acid?
The InChIKey is GBZYNYLCTYEILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO5/c1-2-6-20-15(19)11-5-3-4-10(7-11)14-16-12(9-21-14)8-13(17)18/h2-5,7,9H,1,6,8H2,(H,17,18).
What are the key properties of 2-[2-(3-prop-2-enoxycarbonylphenyl)-1,3-oxazol-4-yl]acetic acid?
2-[2-(3-prop-2-enoxycarbonylphenyl)-1,3-oxazol-4-yl]acetic acid has a molecular weight of 287.27 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-prop-2-enoxycarbonylphenyl)-1,3-oxazol-4-yl]acetic acid is sourced from PubChem (CID 174407179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).