3-phenyl-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole

C14H17N3O — CID 71261689

IUPAC3-phenyl-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(CC3CCNCC3)n2)cc1
InChIInChI=1S/C14H17N3O/c1-2-4-12(5-3-1)14-16-13(18-17-14)10-11-6-8-15-9-7-11/h1-5,11,15H,6-10H2
InChIKeyBGDSWYRGMFOBEH-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.28
Rot. Bonds3

About 3-phenyl-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole

3-phenyl-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole (PubChem CID 71261689) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-phenyl-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-phenyl-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
PubChem CID71261689
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-phenyl-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(CC3CCNCC3)n2)cc1
InChIInChI=1S/C14H17N3O/c1-2-4-12(5-3-1)14-16-13(18-17-14)10-11-6-8-15-9-7-11/h1-5,11,15H,6-10H2
InChIKeyBGDSWYRGMFOBEH-UHFFFAOYSA-N
XLogP2.28
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-phenyl-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(azepan-4-ylmethyl)-3-phenyl-1,2,4-oxadiazole;hydrochloride
CID 120835096
3-(2-chlorophenyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 79608442
5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-phenyl-1,2,4-oxadiazole
CID 79609378
5-(piperidin-4-ylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole;hydrochloride
CID 119947859
3-(6-methyl-2-pyridinyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 79608887
3-pyridin-3-yl-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;hydrochloride
CID 120836941
N-[3-[5-(piperidin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclopropanecarboxamide
CID 154862591
3-(6-methoxy-3-pyridinyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 119948377
3-(2-ethoxyphenyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 75539076
3-(3-bromo-5-fluorophenyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 79608304
5-(azepan-4-ylmethyl)-3-[3-(piperidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole
CID 120839379
3-(phenylsulfanylmethyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 79608667

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-phenyl-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole (CID 71261689) is 3-phenyl-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-phenyl-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-phenyl-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole is c1ccc(-c2noc(CC3CCNCC3)n2)cc1.
What is the InChIKey of 3-phenyl-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is BGDSWYRGMFOBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-4-12(5-3-1)14-16-13(18-17-14)10-11-6-8-15-9-7-11/h1-5,11,15H,6-10H2.
What are the key properties of 3-phenyl-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole?
3-phenyl-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 243.31 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 71261689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).