3-methyl-2-[3-(3-piperazin-1-ylazetidin-1-yl)-1,2-oxazol-5-yl]butanoic acid

C15H24N4O3 — CID 146502080

IUPAC3-methyl-2-[3-(3-piperazin-1-ylazetidin-1-yl)-1,2-oxazol-5-yl]butanoic acid
SMILESCC(C)C(C(=O)O)c1cc(N2CC(N3CCNCC3)C2)no1
InChIInChI=1S/C15H24N4O3/c1-10(2)14(15(20)21)12-7-13(17-22-12)19-8-11(9-19)18-5-3-16-4-6-18/h7,10-11,14,16H,3-6,8-9H2,1-2H3,(H,20,21)
InChIKeyCPUHWLJZECHJAW-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.59
Rot. Bonds5

About 3-methyl-2-[3-(3-piperazin-1-ylazetidin-1-yl)-1,2-oxazol-5-yl]butanoic acid

3-methyl-2-[3-(3-piperazin-1-ylazetidin-1-yl)-1,2-oxazol-5-yl]butanoic acid (PubChem CID 146502080) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-methyl-2-[3-(3-piperazin-1-ylazetidin-1-yl)-1,2-oxazol-5-yl]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[3-(3-piperazin-1-ylazetidin-1-yl)-1,2-oxazol-5-yl]butanoic acid
PubChem CID146502080
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name3-methyl-2-[3-(3-piperazin-1-ylazetidin-1-yl)-1,2-oxazol-5-yl]butanoic acid
SMILESCC(C)C(C(=O)O)c1cc(N2CC(N3CCNCC3)C2)no1
InChIInChI=1S/C15H24N4O3/c1-10(2)14(15(20)21)12-7-13(17-22-12)19-8-11(9-19)18-5-3-16-4-6-18/h7,10-11,14,16H,3-6,8-9H2,1-2H3,(H,20,21)
InChIKeyCPUHWLJZECHJAW-UHFFFAOYSA-N
XLogP0.59
TPSA81.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-methyl-2-[3-(3-piperazin-1-ylazetidin-1-yl)-1,2-oxazol-5-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 3-methyl-2-[3-(3-piperazin-1-ylazetidin-1-yl)-1,2-oxazol-5-yl]butanoic acid?
The IUPAC name of 3-methyl-2-[3-(3-piperazin-1-ylazetidin-1-yl)-1,2-oxazol-5-yl]butanoic acid (CID 146502080) is 3-methyl-2-[3-(3-piperazin-1-ylazetidin-1-yl)-1,2-oxazol-5-yl]butanoic acid.
What is the SMILES notation for 3-methyl-2-[3-(3-piperazin-1-ylazetidin-1-yl)-1,2-oxazol-5-yl]butanoic acid?
The canonical SMILES for 3-methyl-2-[3-(3-piperazin-1-ylazetidin-1-yl)-1,2-oxazol-5-yl]butanoic acid is CC(C)C(C(=O)O)c1cc(N2CC(N3CCNCC3)C2)no1.
What is the InChIKey of 3-methyl-2-[3-(3-piperazin-1-ylazetidin-1-yl)-1,2-oxazol-5-yl]butanoic acid?
The InChIKey is CPUHWLJZECHJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-10(2)14(15(20)21)12-7-13(17-22-12)19-8-11(9-19)18-5-3-16-4-6-18/h7,10-11,14,16H,3-6,8-9H2,1-2H3,(H,20,21).
What are the key properties of 3-methyl-2-[3-(3-piperazin-1-ylazetidin-1-yl)-1,2-oxazol-5-yl]butanoic acid?
3-methyl-2-[3-(3-piperazin-1-ylazetidin-1-yl)-1,2-oxazol-5-yl]butanoic acid has a molecular weight of 308.38 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[3-(3-piperazin-1-ylazetidin-1-yl)-1,2-oxazol-5-yl]butanoic acid is sourced from PubChem (CID 146502080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).