3-(4-propyl-1,2-oxazol-3-yl)propanoic acid

C9H13NO3 — CID 105422800

IUPAC3-(4-propyl-1,2-oxazol-3-yl)propanoic acid
SMILESCCCc1conc1CCC(=O)O
InChIInChI=1S/C9H13NO3/c1-2-3-7-6-13-10-8(7)4-5-9(11)12/h6H,2-5H2,1H3,(H,11,12)
InChIKeyFDFPHOHAPHDGDX-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.64
Rot. Bonds5

About 3-(4-propyl-1,2-oxazol-3-yl)propanoic acid

3-(4-propyl-1,2-oxazol-3-yl)propanoic acid (PubChem CID 105422800) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-(4-propyl-1,2-oxazol-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-propyl-1,2-oxazol-3-yl)propanoic acid
PubChem CID105422800
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name3-(4-propyl-1,2-oxazol-3-yl)propanoic acid
SMILESCCCc1conc1CCC(=O)O
InChIInChI=1S/C9H13NO3/c1-2-3-7-6-13-10-8(7)4-5-9(11)12/h6H,2-5H2,1H3,(H,11,12)
InChIKeyFDFPHOHAPHDGDX-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-(4-propyl-1,2-oxazol-3-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

Related Compounds

3-(3-ethyl-1,2-oxazol-4-yl)propanoic acid
CID 82597900
3-(4-propyl-1,2-oxazol-3-yl)propan-1-amine
CID 105422700
3-(3,5-dipropylphenyl)propanoic acid
CID 58963924
2-(4-propan-2-yl-1,2-oxazol-3-yl)acetic acid
CID 105422708
3-[4-(2-chlorophenyl)-1,2-oxazol-3-yl]propanoic acid
CID 105423723
4-ethyl-1,2-oxazole-3-carboxylic acid
CID 53421780
2-(4-ethyl-1,2-oxazol-3-yl)-N-methylethanamine
CID 105422622
4-decyl-1,2-oxazole-3-carboxylic acid
CID 151748779
3-(1,2-oxazol-4-yl)propanoic acid
CID 23006336
3-(4,5-dimethyl-1,2-oxazol-3-yl)propanoic acid
CID 4621886
(4-amino-1,2-oxazol-3-yl)methanol;propanoic acid
CID 67318719
4-ethyl-3-(fluoromethyl)-1,2-oxazole
CID 170598698

Frequently Asked Questions

What is the IUPAC name of 3-(4-propyl-1,2-oxazol-3-yl)propanoic acid?
The IUPAC name of 3-(4-propyl-1,2-oxazol-3-yl)propanoic acid (CID 105422800) is 3-(4-propyl-1,2-oxazol-3-yl)propanoic acid.
What is the SMILES notation for 3-(4-propyl-1,2-oxazol-3-yl)propanoic acid?
The canonical SMILES for 3-(4-propyl-1,2-oxazol-3-yl)propanoic acid is CCCc1conc1CCC(=O)O.
What is the InChIKey of 3-(4-propyl-1,2-oxazol-3-yl)propanoic acid?
The InChIKey is FDFPHOHAPHDGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-2-3-7-6-13-10-8(7)4-5-9(11)12/h6H,2-5H2,1H3,(H,11,12).
What are the key properties of 3-(4-propyl-1,2-oxazol-3-yl)propanoic acid?
3-(4-propyl-1,2-oxazol-3-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-(4-propyl-1,2-oxazol-3-yl)propanoic acid is sourced from PubChem (CID 105422800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).