3-[(1-butylpiperidin-4-yl)methoxy]-4-cyclopentyloxy-1,2-benzoxazole

C22H32N2O3 — CID 71451951

IUPAC3-[(1-butylpiperidin-4-yl)methoxy]-4-cyclopentyloxy-1,2-benzoxazole
SMILESCCCCN1CCC(COc2noc3cccc(OC4CCCC4)c23)CC1
InChIInChI=1S/C22H32N2O3/c1-2-3-13-24-14-11-17(12-15-24)16-25-22-21-19(26-18-7-4-5-8-18)9-6-10-20(21)27-23-22/h6,9-10,17-18H,2-5,7-8,11-16H2,1H3
InChIKeyPMEDSYVIMDDMCR-UHFFFAOYSA-N
MW372.51 g/mol
LogP5.04
Rot. Bonds8

About 3-[(1-butylpiperidin-4-yl)methoxy]-4-cyclopentyloxy-1,2-benzoxazole

3-[(1-butylpiperidin-4-yl)methoxy]-4-cyclopentyloxy-1,2-benzoxazole (PubChem CID 71451951) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is 3-[(1-butylpiperidin-4-yl)methoxy]-4-cyclopentyloxy-1,2-benzoxazole.

Molecular Properties

Compound Name3-[(1-butylpiperidin-4-yl)methoxy]-4-cyclopentyloxy-1,2-benzoxazole
PubChem CID71451951
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name3-[(1-butylpiperidin-4-yl)methoxy]-4-cyclopentyloxy-1,2-benzoxazole
SMILESCCCCN1CCC(COc2noc3cccc(OC4CCCC4)c23)CC1
InChIInChI=1S/C22H32N2O3/c1-2-3-13-24-14-11-17(12-15-24)16-25-22-21-19(26-18-7-4-5-8-18)9-6-10-20(21)27-23-22/h6,9-10,17-18H,2-5,7-8,11-16H2,1H3
InChIKeyPMEDSYVIMDDMCR-UHFFFAOYSA-N
XLogP5.04
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[(1-butylpiperidin-4-yl)methoxy]-4-cyclopentyloxy-1,2-benzoxazole 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-[(1-butylpiperidin-4-yl)methoxy]-4-cyclopentyloxy-1,2-benzoxazole?
The IUPAC name of 3-[(1-butylpiperidin-4-yl)methoxy]-4-cyclopentyloxy-1,2-benzoxazole (CID 71451951) is 3-[(1-butylpiperidin-4-yl)methoxy]-4-cyclopentyloxy-1,2-benzoxazole.
What is the SMILES notation for 3-[(1-butylpiperidin-4-yl)methoxy]-4-cyclopentyloxy-1,2-benzoxazole?
The canonical SMILES for 3-[(1-butylpiperidin-4-yl)methoxy]-4-cyclopentyloxy-1,2-benzoxazole is CCCCN1CCC(COc2noc3cccc(OC4CCCC4)c23)CC1.
What is the InChIKey of 3-[(1-butylpiperidin-4-yl)methoxy]-4-cyclopentyloxy-1,2-benzoxazole?
The InChIKey is PMEDSYVIMDDMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-2-3-13-24-14-11-17(12-15-24)16-25-22-21-19(26-18-7-4-5-8-18)9-6-10-20(21)27-23-22/h6,9-10,17-18H,2-5,7-8,11-16H2,1H3.
What are the key properties of 3-[(1-butylpiperidin-4-yl)methoxy]-4-cyclopentyloxy-1,2-benzoxazole?
3-[(1-butylpiperidin-4-yl)methoxy]-4-cyclopentyloxy-1,2-benzoxazole has a molecular weight of 372.51 g/mol, XLogP of 5.04, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-butylpiperidin-4-yl)methoxy]-4-cyclopentyloxy-1,2-benzoxazole is sourced from PubChem (CID 71451951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).