4-(1-methylpiperidin-3-yl)-1,3-oxazole

C9H14N2O — CID 69351704

IUPAC4-(1-methylpiperidin-3-yl)-1,3-oxazole
SMILESCN1CCCC(c2cocn2)C1
InChIInChI=1S/C9H14N2O/c1-11-4-2-3-8(5-11)9-6-12-7-10-9/h6-8H,2-5H2,1H3
InChIKeyLWUUWPXOHVGNPE-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.48
Rot. Bonds1

About 4-(1-methylpiperidin-3-yl)-1,3-oxazole

4-(1-methylpiperidin-3-yl)-1,3-oxazole (PubChem CID 69351704) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 4-(1-methylpiperidin-3-yl)-1,3-oxazole.

Molecular Properties

Compound Name4-(1-methylpiperidin-3-yl)-1,3-oxazole
PubChem CID69351704
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name4-(1-methylpiperidin-3-yl)-1,3-oxazole
SMILESCN1CCCC(c2cocn2)C1
InChIInChI=1S/C9H14N2O/c1-11-4-2-3-8(5-11)9-6-12-7-10-9/h6-8H,2-5H2,1H3
InChIKeyLWUUWPXOHVGNPE-UHFFFAOYSA-N
XLogP1.48
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(1-methylpiperidin-3-yl)-1,3-oxazole 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-(1-methylpiperidin-3-yl)-1,3-oxazole?
The IUPAC name of 4-(1-methylpiperidin-3-yl)-1,3-oxazole (CID 69351704) is 4-(1-methylpiperidin-3-yl)-1,3-oxazole.
What is the SMILES notation for 4-(1-methylpiperidin-3-yl)-1,3-oxazole?
The canonical SMILES for 4-(1-methylpiperidin-3-yl)-1,3-oxazole is CN1CCCC(c2cocn2)C1.
What is the InChIKey of 4-(1-methylpiperidin-3-yl)-1,3-oxazole?
The InChIKey is LWUUWPXOHVGNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-11-4-2-3-8(5-11)9-6-12-7-10-9/h6-8H,2-5H2,1H3.
What are the key properties of 4-(1-methylpiperidin-3-yl)-1,3-oxazole?
4-(1-methylpiperidin-3-yl)-1,3-oxazole has a molecular weight of 166.22 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpiperidin-3-yl)-1,3-oxazole is sourced from PubChem (CID 69351704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).