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

C19H19ClN4O — CID 8688023

IUPAC2-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(CN3CCN(c4ccccc4)CC3)o2)cc1
InChIInChI=1S/C19H19ClN4O/c20-16-8-6-15(7-9-16)19-22-21-18(25-19)14-23-10-12-24(13-11-23)17-4-2-1-3-5-17/h1-9H,10-14H2
InChIKeyHFDXVSQOIPSORE-UHFFFAOYSA-N
MW354.84 g/mol
LogP3.71
Rot. Bonds4

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

2-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole (PubChem CID 8688023) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
PubChem CID8688023
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC Name2-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(CN3CCN(c4ccccc4)CC3)o2)cc1
InChIInChI=1S/C19H19ClN4O/c20-16-8-6-15(7-9-16)19-22-21-18(25-19)14-23-10-12-24(13-11-23)17-4-2-1-3-5-17/h1-9H,10-14H2
InChIKeyHFDXVSQOIPSORE-UHFFFAOYSA-N
XLogP3.71
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 22432336
2-(4-chlorophenyl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 8541889
2-(4-chlorophenyl)-5-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 9256962
2-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 8591039
2-phenyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
CID 110653684
2-[(4-benzylpiperazin-1-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 7463593
2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 4824709
2-(4-chlorophenyl)-5-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 33110569
2-(4-chlorophenyl)-5-(1,4-diazepan-1-ylmethyl)-1,3,4-oxadiazole
CID 43168675
2-benzyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 110653301
2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 33177843
N-[1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]benzamide
CID 16580752

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole (CID 8688023) is 2-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole is Clc1ccc(-c2nnc(CN3CCN(c4ccccc4)CC3)o2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is HFDXVSQOIPSORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c20-16-8-6-15(7-9-16)19-22-21-18(25-19)14-23-10-12-24(13-11-23)17-4-2-1-3-5-17/h1-9H,10-14H2.
What are the key properties of 2-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
2-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 354.84 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 8688023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).