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

C16H19ClN4O — CID 47520514

IUPAC2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-cyclopropyl-1,3,4-oxadiazole
SMILESClc1cccc(N2CCN(Cc3nnc(C4CC4)o3)CC2)c1
InChIInChI=1S/C16H19ClN4O/c17-13-2-1-3-14(10-13)21-8-6-20(7-9-21)11-15-18-19-16(22-15)12-4-5-12/h1-3,10,12H,4-9,11H2
InChIKeyWWKOGOOUZOZBCU-UHFFFAOYSA-N
MW318.81 g/mol
LogP2.92
Rot. Bonds4

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

2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-cyclopropyl-1,3,4-oxadiazole (PubChem CID 47520514) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-cyclopropyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-cyclopropyl-1,3,4-oxadiazole
PubChem CID47520514
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-cyclopropyl-1,3,4-oxadiazole
SMILESClc1cccc(N2CCN(Cc3nnc(C4CC4)o3)CC2)c1
InChIInChI=1S/C16H19ClN4O/c17-13-2-1-3-14(10-13)21-8-6-20(7-9-21)11-15-18-19-16(22-15)12-4-5-12/h1-3,10,12H,4-9,11H2
InChIKeyWWKOGOOUZOZBCU-UHFFFAOYSA-N
XLogP2.92
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 47520325
2-cyclopropyl-5-[[4-(2-fluoro-4-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 171999804
2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
CID 51108336
2-cyclopropyl-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 47520575
2-(3-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 22432336
2-cyclopropyl-5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 47704652
7-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one
CID 126898766
2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrimidine
CID 171909306
2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-5-cyclopropyl-1,3,4-oxadiazole
CID 47520892
1-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 47520358
5-chloro-4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]thiadiazole
CID 36839861
[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 47524815

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-cyclopropyl-1,3,4-oxadiazole?
The IUPAC name of 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-cyclopropyl-1,3,4-oxadiazole (CID 47520514) is 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-cyclopropyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-cyclopropyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-cyclopropyl-1,3,4-oxadiazole is Clc1cccc(N2CCN(Cc3nnc(C4CC4)o3)CC2)c1.
What is the InChIKey of 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-cyclopropyl-1,3,4-oxadiazole?
The InChIKey is WWKOGOOUZOZBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c17-13-2-1-3-14(10-13)21-8-6-20(7-9-21)11-15-18-19-16(22-15)12-4-5-12/h1-3,10,12H,4-9,11H2.
What are the key properties of 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-cyclopropyl-1,3,4-oxadiazole?
2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-cyclopropyl-1,3,4-oxadiazole has a molecular weight of 318.81 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-cyclopropyl-1,3,4-oxadiazole is sourced from PubChem (CID 47520514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).