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

C19H19ClN4O — CID 1256107

IUPAC3-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESClc1ccc(-c2noc(CN3CCN(c4ccccc4)CC3)n2)cc1
InChIInChI=1S/C19H19ClN4O/c20-16-8-6-15(7-9-16)19-21-18(25-22-19)14-23-10-12-24(13-11-23)17-4-2-1-3-5-17/h1-9H,10-14H2
InChIKeyMFIWBVJOJPOURE-UHFFFAOYSA-N
MW354.84 g/mol
LogP3.71
Rot. Bonds4

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

3-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 1256107) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID1256107
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC Name3-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESClc1ccc(-c2noc(CN3CCN(c4ccccc4)CC3)n2)cc1
InChIInChI=1S/C19H19ClN4O/c20-16-8-6-15(7-9-16)19-21-18(25-22-19)14-23-10-12-24(13-11-23)17-4-2-1-3-5-17/h1-9H,10-14H2
InChIKeyMFIWBVJOJPOURE-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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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (CID 1256107) is 3-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is Clc1ccc(-c2noc(CN3CCN(c4ccccc4)CC3)n2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is MFIWBVJOJPOURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c20-16-8-6-15(7-9-16)19-21-18(25-22-19)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 3-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
3-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-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 3-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 1256107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).