2-(4-chlorophenyl)-5-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole

C22H24ClN3O — CID 33110569

IUPAC2-(4-chlorophenyl)-5-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(CN3CCC(CCc4ccccc4)CC3)o2)cc1
InChIInChI=1S/C22H24ClN3O/c23-20-10-8-19(9-11-20)22-25-24-21(27-22)16-26-14-12-18(13-15-26)7-6-17-4-2-1-3-5-17/h1-5,8-11,18H,6-7,12-16H2
InChIKeySMJIHEGOFZMTIQ-UHFFFAOYSA-N
MW381.91 g/mol
LogP5.23
Rot. Bonds6

About 2-(4-chlorophenyl)-5-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole

2-(4-chlorophenyl)-5-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 33110569) has the molecular formula C22H24ClN3O and a molecular weight of 381.91 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID33110569
Molecular FormulaC22H24ClN3O
Molecular Weight381.91 g/mol
Exact Mass381.16
IUPAC Name2-(4-chlorophenyl)-5-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(CN3CCC(CCc4ccccc4)CC3)o2)cc1
InChIInChI=1S/C22H24ClN3O/c23-20-10-8-19(9-11-20)22-25-24-21(27-22)16-26-14-12-18(13-15-26)7-6-17-4-2-1-3-5-17/h1-5,8-11,18H,6-7,12-16H2
InChIKeySMJIHEGOFZMTIQ-UHFFFAOYSA-N
XLogP5.23
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.91
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 8688023
2-[(4-benzylpiperazin-1-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 7463593
N-[1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]benzamide
CID 16580752
1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(2-methylphenyl)piperidin-4-amine
CID 56829243
2-(4-chlorophenyl)-5-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 9256962
2-phenyl-5-[(4-phenylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 46643022
2-methyl-5-[[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 51074586
2-(4-chlorophenyl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 8541889
[1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanol
CID 60642415
2-[(4-benzylpiperidin-1-yl)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 71901584
2-(4-chlorophenyl)-5-(1,4-diazepan-1-ylmethyl)-1,3,4-oxadiazole
CID 43168675
(2R,6R)-4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,6-dimethylmorpholine
CID 31476823

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-chlorophenyl)-5-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole (CID 33110569) is 2-(4-chlorophenyl)-5-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole is Clc1ccc(-c2nnc(CN3CCC(CCc4ccccc4)CC3)o2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is SMJIHEGOFZMTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O/c23-20-10-8-19(9-11-20)22-25-24-21(27-22)16-26-14-12-18(13-15-26)7-6-17-4-2-1-3-5-17/h1-5,8-11,18H,6-7,12-16H2.
What are the key properties of 2-(4-chlorophenyl)-5-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
2-(4-chlorophenyl)-5-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 381.91 g/mol, XLogP of 5.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 33110569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).