3-methyl-1,2-oxazole;propanoic acid

C7H11NO3 — CID 163851744

IUPAC3-methyl-1,2-oxazole;propanoic acid
SMILESCCC(=O)O.Cc1ccon1
InChIInChI=1S/C4H5NO.C3H6O2/c1-4-2-3-6-5-4;1-2-3(4)5/h2-3H,1H3;2H2,1H3,(H,4,5)
InChIKeyOUYKMLXBUCZKPH-UHFFFAOYSA-N
MW157.17 g/mol
LogP1.46
Rot. Bonds1

About 3-methyl-1,2-oxazole;propanoic acid

3-methyl-1,2-oxazole;propanoic acid (PubChem CID 163851744) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 3-methyl-1,2-oxazole;propanoic acid.

Molecular Properties

Compound Name3-methyl-1,2-oxazole;propanoic acid
PubChem CID163851744
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name3-methyl-1,2-oxazole;propanoic acid
SMILESCCC(=O)O.Cc1ccon1
InChIInChI=1S/C4H5NO.C3H6O2/c1-4-2-3-6-5-4;1-2-3(4)5/h2-3H,1H3;2H2,1H3,(H,4,5)
InChIKeyOUYKMLXBUCZKPH-UHFFFAOYSA-N
XLogP1.46
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-1,2-oxazole;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-Methylisoxazole
CID 96098
3-Isoxazolecarboxylic acid
CID 11286453
3-(Bromomethyl)-1,2-oxazole
CID 10464616
1,2-Oxazol-3-ylmethanol
CID 12905096
1,2-Oxazole-3-carbaldehyde
CID 18373078
3-(Trifluoromethyl)isoxazole
CID 13739401
Fluoromethylisoxazole
CID 20077094
Difluoromethylisoxazole
CID 121273798
3-Ethenyl-1,2-oxazole
CID 11018809
(1,2-Oxazol-3-yl)methanethiol
CID 15646083
Dioxymethylfurazan
CID 66718249
3-Ethynyl-1,2-oxazole
CID 90771306

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,2-oxazole;propanoic acid?
The IUPAC name of 3-methyl-1,2-oxazole;propanoic acid (CID 163851744) is 3-methyl-1,2-oxazole;propanoic acid.
What is the SMILES notation for 3-methyl-1,2-oxazole;propanoic acid?
The canonical SMILES for 3-methyl-1,2-oxazole;propanoic acid is CCC(=O)O.Cc1ccon1.
What is the InChIKey of 3-methyl-1,2-oxazole;propanoic acid?
The InChIKey is OUYKMLXBUCZKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO.C3H6O2/c1-4-2-3-6-5-4;1-2-3(4)5/h2-3H,1H3;2H2,1H3,(H,4,5).
What are the key properties of 3-methyl-1,2-oxazole;propanoic acid?
3-methyl-1,2-oxazole;propanoic acid has a molecular weight of 157.17 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,2-oxazole;propanoic acid is sourced from PubChem (CID 163851744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).