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

C19H19ClN4O — CID 1299119

IUPAC5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
SMILESClc1cccc(N2CCN(Cc3nc(-c4ccccc4)no3)CC2)c1
InChIInChI=1S/C19H19ClN4O/c20-16-7-4-8-17(13-16)24-11-9-23(10-12-24)14-18-21-19(22-25-18)15-5-2-1-3-6-15/h1-8,13H,9-12,14H2
InChIKeyYJOAHLWLYTVYGJ-UHFFFAOYSA-N
MW354.84 g/mol
LogP3.71
Rot. Bonds4

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

5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 1299119) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is 5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
PubChem CID1299119
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC Name5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
SMILESClc1cccc(N2CCN(Cc3nc(-c4ccccc4)no3)CC2)c1
InChIInChI=1S/C19H19ClN4O/c20-16-7-4-8-17(13-16)24-11-9-23(10-12-24)14-18-21-19(22-25-18)15-5-2-1-3-6-15/h1-8,13H,9-12,14H2
InChIKeyYJOAHLWLYTVYGJ-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 5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole (CID 1299119) is 5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole is Clc1cccc(N2CCN(Cc3nc(-c4ccccc4)no3)CC2)c1.
What is the InChIKey of 5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is YJOAHLWLYTVYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c20-16-7-4-8-17(13-16)24-11-9-23(10-12-24)14-18-21-19(22-25-18)15-5-2-1-3-6-15/h1-8,13H,9-12,14H2.
What are the key properties of 5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole?
5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-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 5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 1299119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).