3-(5-propyl-1,3-oxazol-2-yl)propanoic acid

C9H13NO3 — CID 115016405

IUPAC3-(5-propyl-1,3-oxazol-2-yl)propanoic acid
SMILESCCCc1cnc(CCC(=O)O)o1
InChIInChI=1S/C9H13NO3/c1-2-3-7-6-10-8(13-7)4-5-9(11)12/h6H,2-5H2,1H3,(H,11,12)
InChIKeyZZUSVSBMUYRNAD-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.64
Rot. Bonds5

About 3-(5-propyl-1,3-oxazol-2-yl)propanoic acid

3-(5-propyl-1,3-oxazol-2-yl)propanoic acid (PubChem CID 115016405) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-(5-propyl-1,3-oxazol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-propyl-1,3-oxazol-2-yl)propanoic acid
PubChem CID115016405
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name3-(5-propyl-1,3-oxazol-2-yl)propanoic acid
SMILESCCCc1cnc(CCC(=O)O)o1
InChIInChI=1S/C9H13NO3/c1-2-3-7-6-10-8(13-7)4-5-9(11)12/h6H,2-5H2,1H3,(H,11,12)
InChIKeyZZUSVSBMUYRNAD-UHFFFAOYSA-N
XLogP1.64
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(5-propyl-1,3-oxazol-2-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-propyl-1,3-oxazol-2-yl)propanoic acid?
The IUPAC name of 3-(5-propyl-1,3-oxazol-2-yl)propanoic acid (CID 115016405) is 3-(5-propyl-1,3-oxazol-2-yl)propanoic acid.
What is the SMILES notation for 3-(5-propyl-1,3-oxazol-2-yl)propanoic acid?
The canonical SMILES for 3-(5-propyl-1,3-oxazol-2-yl)propanoic acid is CCCc1cnc(CCC(=O)O)o1.
What is the InChIKey of 3-(5-propyl-1,3-oxazol-2-yl)propanoic acid?
The InChIKey is ZZUSVSBMUYRNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-2-3-7-6-10-8(13-7)4-5-9(11)12/h6H,2-5H2,1H3,(H,11,12).
What are the key properties of 3-(5-propyl-1,3-oxazol-2-yl)propanoic acid?
3-(5-propyl-1,3-oxazol-2-yl)propanoic acid has a molecular weight of 183.21 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-propyl-1,3-oxazol-2-yl)propanoic acid is sourced from PubChem (CID 115016405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).