2-cyclobutyl-5-[(3R)-3-phenylmethoxypiperidin-1-yl]-1,3,4-oxadiazole

C18H23N3O2 — CID 97190250

IUPAC2-cyclobutyl-5-[(3R)-3-phenylmethoxypiperidin-1-yl]-1,3,4-oxadiazole
SMILESc1ccc(CO[C@@H]2CCCN(c3nnc(C4CCC4)o3)C2)cc1
InChIInChI=1S/C18H23N3O2/c1-2-6-14(7-3-1)13-22-16-10-5-11-21(12-16)18-20-19-17(23-18)15-8-4-9-15/h1-3,6-7,15-16H,4-5,8-13H2/t16-/m1/s1
InChIKeyUHIYAYRVGPAUNP-MRXNPFEDSA-N
MW313.40 g/mol
LogP3.52
Rot. Bonds5

About 2-cyclobutyl-5-[(3R)-3-phenylmethoxypiperidin-1-yl]-1,3,4-oxadiazole

2-cyclobutyl-5-[(3R)-3-phenylmethoxypiperidin-1-yl]-1,3,4-oxadiazole (PubChem CID 97190250) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-cyclobutyl-5-[(3R)-3-phenylmethoxypiperidin-1-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclobutyl-5-[(3R)-3-phenylmethoxypiperidin-1-yl]-1,3,4-oxadiazole
PubChem CID97190250
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-cyclobutyl-5-[(3R)-3-phenylmethoxypiperidin-1-yl]-1,3,4-oxadiazole
SMILESc1ccc(CO[C@@H]2CCCN(c3nnc(C4CCC4)o3)C2)cc1
InChIInChI=1S/C18H23N3O2/c1-2-6-14(7-3-1)13-22-16-10-5-11-21(12-16)18-20-19-17(23-18)15-8-4-9-15/h1-3,6-7,15-16H,4-5,8-13H2/t16-/m1/s1
InChIKeyUHIYAYRVGPAUNP-MRXNPFEDSA-N
XLogP3.52
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-cyclobutyl-5-[(3R)-3-phenylmethoxypiperidin-1-yl]-1,3,4-oxadiazole 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 2-cyclobutyl-5-[(3R)-3-phenylmethoxypiperidin-1-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-cyclobutyl-5-[(3R)-3-phenylmethoxypiperidin-1-yl]-1,3,4-oxadiazole (CID 97190250) is 2-cyclobutyl-5-[(3R)-3-phenylmethoxypiperidin-1-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclobutyl-5-[(3R)-3-phenylmethoxypiperidin-1-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclobutyl-5-[(3R)-3-phenylmethoxypiperidin-1-yl]-1,3,4-oxadiazole is c1ccc(CO[C@@H]2CCCN(c3nnc(C4CCC4)o3)C2)cc1.
What is the InChIKey of 2-cyclobutyl-5-[(3R)-3-phenylmethoxypiperidin-1-yl]-1,3,4-oxadiazole?
The InChIKey is UHIYAYRVGPAUNP-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-2-6-14(7-3-1)13-22-16-10-5-11-21(12-16)18-20-19-17(23-18)15-8-4-9-15/h1-3,6-7,15-16H,4-5,8-13H2/t16-/m1/s1.
What are the key properties of 2-cyclobutyl-5-[(3R)-3-phenylmethoxypiperidin-1-yl]-1,3,4-oxadiazole?
2-cyclobutyl-5-[(3R)-3-phenylmethoxypiperidin-1-yl]-1,3,4-oxadiazole has a molecular weight of 313.40 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-5-[(3R)-3-phenylmethoxypiperidin-1-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 97190250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).