2-(1,2-oxazol-3-yl)but-2-enoic acid

C7H7NO3 — CID 67912289

IUPAC2-(1,2-oxazol-3-yl)but-2-enoic acid
SMILESCC=C(C(=O)O)c1ccon1
InChIInChI=1S/C7H7NO3/c1-2-5(7(9)10)6-3-4-11-8-6/h2-4H,1H3,(H,9,10)
InChIKeyUKOQETYMMGZCDY-UHFFFAOYSA-N
MW153.14 g/mol
LogP1.16
Rot. Bonds2

About 2-(1,2-oxazol-3-yl)but-2-enoic acid

2-(1,2-oxazol-3-yl)but-2-enoic acid (PubChem CID 67912289) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is 2-(1,2-oxazol-3-yl)but-2-enoic acid.

Molecular Properties

Compound Name2-(1,2-oxazol-3-yl)but-2-enoic acid
PubChem CID67912289
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name2-(1,2-oxazol-3-yl)but-2-enoic acid
SMILESCC=C(C(=O)O)c1ccon1
InChIInChI=1S/C7H7NO3/c1-2-5(7(9)10)6-3-4-11-8-6/h2-4H,1H3,(H,9,10)
InChIKeyUKOQETYMMGZCDY-UHFFFAOYSA-N
XLogP1.16
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-oxazol-3-yl)but-2-enoic acid?
The IUPAC name of 2-(1,2-oxazol-3-yl)but-2-enoic acid (CID 67912289) is 2-(1,2-oxazol-3-yl)but-2-enoic acid.
What is the SMILES notation for 2-(1,2-oxazol-3-yl)but-2-enoic acid?
The canonical SMILES for 2-(1,2-oxazol-3-yl)but-2-enoic acid is CC=C(C(=O)O)c1ccon1.
What is the InChIKey of 2-(1,2-oxazol-3-yl)but-2-enoic acid?
The InChIKey is UKOQETYMMGZCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c1-2-5(7(9)10)6-3-4-11-8-6/h2-4H,1H3,(H,9,10).
What are the key properties of 2-(1,2-oxazol-3-yl)but-2-enoic acid?
2-(1,2-oxazol-3-yl)but-2-enoic acid has a molecular weight of 153.14 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-oxazol-3-yl)but-2-enoic acid is sourced from PubChem (CID 67912289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).