4-[5-(6-methylheptanoyl)-1,2-oxazol-3-yl]butanoic acid

C15H23NO4 — CID 169492383

IUPAC4-[5-(6-methylheptanoyl)-1,2-oxazol-3-yl]butanoic acid
SMILESCC(C)CCCCC(=O)c1cc(CCCC(=O)O)no1
InChIInChI=1S/C15H23NO4/c1-11(2)6-3-4-8-13(17)14-10-12(16-20-14)7-5-9-15(18)19/h10-11H,3-9H2,1-2H3,(H,18,19)
InChIKeyMAEOWCPXCUFIRS-UHFFFAOYSA-N
MW281.35 g/mol
LogP3.48
Rot. Bonds10

About 4-[5-(6-methylheptanoyl)-1,2-oxazol-3-yl]butanoic acid

4-[5-(6-methylheptanoyl)-1,2-oxazol-3-yl]butanoic acid (PubChem CID 169492383) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 4-[5-(6-methylheptanoyl)-1,2-oxazol-3-yl]butanoic acid.

Molecular Properties

Compound Name4-[5-(6-methylheptanoyl)-1,2-oxazol-3-yl]butanoic acid
PubChem CID169492383
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name4-[5-(6-methylheptanoyl)-1,2-oxazol-3-yl]butanoic acid
SMILESCC(C)CCCCC(=O)c1cc(CCCC(=O)O)no1
InChIInChI=1S/C15H23NO4/c1-11(2)6-3-4-8-13(17)14-10-12(16-20-14)7-5-9-15(18)19/h10-11H,3-9H2,1-2H3,(H,18,19)
InChIKeyMAEOWCPXCUFIRS-UHFFFAOYSA-N
XLogP3.48
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[5-(6-methylheptanoyl)-1,2-oxazol-3-yl]butanoic 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 4-[5-(6-methylheptanoyl)-1,2-oxazol-3-yl]butanoic acid?
The IUPAC name of 4-[5-(6-methylheptanoyl)-1,2-oxazol-3-yl]butanoic acid (CID 169492383) is 4-[5-(6-methylheptanoyl)-1,2-oxazol-3-yl]butanoic acid.
What is the SMILES notation for 4-[5-(6-methylheptanoyl)-1,2-oxazol-3-yl]butanoic acid?
The canonical SMILES for 4-[5-(6-methylheptanoyl)-1,2-oxazol-3-yl]butanoic acid is CC(C)CCCCC(=O)c1cc(CCCC(=O)O)no1.
What is the InChIKey of 4-[5-(6-methylheptanoyl)-1,2-oxazol-3-yl]butanoic acid?
The InChIKey is MAEOWCPXCUFIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-11(2)6-3-4-8-13(17)14-10-12(16-20-14)7-5-9-15(18)19/h10-11H,3-9H2,1-2H3,(H,18,19).
What are the key properties of 4-[5-(6-methylheptanoyl)-1,2-oxazol-3-yl]butanoic acid?
4-[5-(6-methylheptanoyl)-1,2-oxazol-3-yl]butanoic acid has a molecular weight of 281.35 g/mol, XLogP of 3.48, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(6-methylheptanoyl)-1,2-oxazol-3-yl]butanoic acid is sourced from PubChem (CID 169492383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).