2-(1,2-oxazol-3-yl)propanoic acid

C6H7NO3 — CID 18989700

IUPAC2-(1,2-oxazol-3-yl)propanoic acid
SMILESCC(C(=O)O)c1ccon1
InChIInChI=1S/C6H7NO3/c1-4(6(8)9)5-2-3-10-7-5/h2-4H,1H3,(H,8,9)
InChIKeyCJBPVMIDKJJCES-UHFFFAOYSA-N
MW141.13 g/mol
LogP0.86
Rot. Bonds2

About 2-(1,2-oxazol-3-yl)propanoic acid

2-(1,2-oxazol-3-yl)propanoic acid (PubChem CID 18989700) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is 2-(1,2-oxazol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(1,2-oxazol-3-yl)propanoic acid
PubChem CID18989700
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Name2-(1,2-oxazol-3-yl)propanoic acid
SMILESCC(C(=O)O)c1ccon1
InChIInChI=1S/C6H7NO3/c1-4(6(8)9)5-2-3-10-7-5/h2-4H,1H3,(H,8,9)
InChIKeyCJBPVMIDKJJCES-UHFFFAOYSA-N
XLogP0.86
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-oxazol-3-yl)propanoic acid?
The IUPAC name of 2-(1,2-oxazol-3-yl)propanoic acid (CID 18989700) is 2-(1,2-oxazol-3-yl)propanoic acid.
What is the SMILES notation for 2-(1,2-oxazol-3-yl)propanoic acid?
The canonical SMILES for 2-(1,2-oxazol-3-yl)propanoic acid is CC(C(=O)O)c1ccon1.
What is the InChIKey of 2-(1,2-oxazol-3-yl)propanoic acid?
The InChIKey is CJBPVMIDKJJCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3/c1-4(6(8)9)5-2-3-10-7-5/h2-4H,1H3,(H,8,9).
What are the key properties of 2-(1,2-oxazol-3-yl)propanoic acid?
2-(1,2-oxazol-3-yl)propanoic acid has a molecular weight of 141.13 g/mol, XLogP of 0.86, 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)propanoic acid is sourced from PubChem (CID 18989700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).