2-phenyl-5-[(4-phenylpiperidin-1-yl)methyl]-1,3,4-oxadiazole

C20H21N3O — CID 46643022

IUPAC2-phenyl-5-[(4-phenylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(CN3CCC(c4ccccc4)CC3)o2)cc1
InChIInChI=1S/C20H21N3O/c1-3-7-16(8-4-1)17-11-13-23(14-12-17)15-19-21-22-20(24-19)18-9-5-2-6-10-18/h1-10,17H,11-15H2
InChIKeyFOLKDIMTNCGLNA-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.12
Rot. Bonds4

About 2-phenyl-5-[(4-phenylpiperidin-1-yl)methyl]-1,3,4-oxadiazole

2-phenyl-5-[(4-phenylpiperidin-1-yl)methyl]-1,3,4-oxadiazole (PubChem CID 46643022) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-phenyl-5-[(4-phenylpiperidin-1-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-[(4-phenylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
PubChem CID46643022
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name2-phenyl-5-[(4-phenylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(CN3CCC(c4ccccc4)CC3)o2)cc1
InChIInChI=1S/C20H21N3O/c1-3-7-16(8-4-1)17-11-13-23(14-12-17)15-19-21-22-20(24-19)18-9-5-2-6-10-18/h1-10,17H,11-15H2
InChIKeyFOLKDIMTNCGLNA-UHFFFAOYSA-N
XLogP4.12
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(1-methylpyrazol-4-yl)piperidin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 86773571
2-(2-bromophenyl)-5-[(4-phenylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 46643063
2-(3-chlorophenyl)-5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole
CID 43913168
2-(3-bromophenyl)-5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole
CID 43913162
N-[3-[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]phenyl]methanesulfonamide
CID 118173534
4-methyl-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-ol
CID 103898404
buta-1,2,3-triene;2-phenyl-5-(piperidin-1-ylmethyl)-1,3,4-oxadiazole;propa-1,2-diene;hydrochloride
CID 159019731
[(2R)-oxolan-2-yl]-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone
CID 29235172
2-[(4-benzylpiperazin-1-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 7463593
(6S)-1-cyclopentyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-diazepan-6-ol
CID 99973552
2-(4-chlorophenyl)-5-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 33110569
1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-amine
CID 43556594

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[(4-phenylpiperidin-1-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-[(4-phenylpiperidin-1-yl)methyl]-1,3,4-oxadiazole (CID 46643022) is 2-phenyl-5-[(4-phenylpiperidin-1-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-[(4-phenylpiperidin-1-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-[(4-phenylpiperidin-1-yl)methyl]-1,3,4-oxadiazole is c1ccc(-c2nnc(CN3CCC(c4ccccc4)CC3)o2)cc1.
What is the InChIKey of 2-phenyl-5-[(4-phenylpiperidin-1-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is FOLKDIMTNCGLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-3-7-16(8-4-1)17-11-13-23(14-12-17)15-19-21-22-20(24-19)18-9-5-2-6-10-18/h1-10,17H,11-15H2.
What are the key properties of 2-phenyl-5-[(4-phenylpiperidin-1-yl)methyl]-1,3,4-oxadiazole?
2-phenyl-5-[(4-phenylpiperidin-1-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 319.41 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[(4-phenylpiperidin-1-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 46643022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).