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

C17H17ClN4O2 — CID 25342993

IUPAC5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole
SMILESClc1cccc(N2CCN(Cc3nc(-c4ccco4)no3)CC2)c1
InChIInChI=1S/C17H17ClN4O2/c18-13-3-1-4-14(11-13)22-8-6-21(7-9-22)12-16-19-17(20-24-16)15-5-2-10-23-15/h1-5,10-11H,6-9,12H2
InChIKeyOTSNAWZFWIHPNG-UHFFFAOYSA-N
MW344.80 g/mol
LogP3.31
Rot. Bonds4

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

5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole (PubChem CID 25342993) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is 5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole
PubChem CID25342993
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC Name5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole
SMILESClc1cccc(N2CCN(Cc3nc(-c4ccco4)no3)CC2)c1
InChIInChI=1S/C17H17ClN4O2/c18-13-3-1-4-14(11-13)22-8-6-21(7-9-22)12-16-19-17(20-24-16)15-5-2-10-23-15/h1-5,10-11H,6-9,12H2
InChIKeyOTSNAWZFWIHPNG-UHFFFAOYSA-N
XLogP3.31
TPSA58.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole (CID 25342993) is 5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole is Clc1cccc(N2CCN(Cc3nc(-c4ccco4)no3)CC2)c1.
What is the InChIKey of 5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole?
The InChIKey is OTSNAWZFWIHPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c18-13-3-1-4-14(11-13)22-8-6-21(7-9-22)12-16-19-17(20-24-16)15-5-2-10-23-15/h1-5,10-11H,6-9,12H2.
What are the key properties of 5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole?
5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole has a molecular weight of 344.80 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 25342993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).