5-[[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole

C18H18ClFN4OS — CID 55411022

IUPAC5-[[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
SMILESFc1cccc(Cl)c1CN1CCN(Cc2nc(-c3ccsc3)no2)CC1
InChIInChI=1S/C18H18ClFN4OS/c19-15-2-1-3-16(20)14(15)10-23-5-7-24(8-6-23)11-17-21-18(22-25-17)13-4-9-26-12-13/h1-4,9,12H,5-8,10-11H2
InChIKeyVXPSUYFHQPZEHU-UHFFFAOYSA-N
MW392.89 g/mol
LogP3.91
Rot. Bonds5

About 5-[[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole

5-[[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole (PubChem CID 55411022) has the molecular formula C18H18ClFN4OS and a molecular weight of 392.89 g/mol. Its IUPAC name is 5-[[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
PubChem CID55411022
Molecular FormulaC18H18ClFN4OS
Molecular Weight392.89 g/mol
Exact Mass392.09
IUPAC Name5-[[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
SMILESFc1cccc(Cl)c1CN1CCN(Cc2nc(-c3ccsc3)no2)CC1
InChIInChI=1S/C18H18ClFN4OS/c19-15-2-1-3-16(20)14(15)10-23-5-7-24(8-6-23)11-17-21-18(22-25-17)13-4-9-26-12-13/h1-4,9,12H,5-8,10-11H2
InChIKeyVXPSUYFHQPZEHU-UHFFFAOYSA-N
XLogP3.91
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol
CID 47010444
5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 33034311
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18112198
5-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 94897731
(3-fluoro-4-methylphenyl)-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 38220318
N-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride
CID 119923233
[(1S,2R)-2-methylcyclopropyl]-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 38219276
(2-chloro-6-fluorophenyl)-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 90642575
(3S)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119933666
(R)-phenyl-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol
CID 51931966
5-[[(3R)-3-methylpiperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 104975556
1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 134042328

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole (CID 55411022) is 5-[[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole is Fc1cccc(Cl)c1CN1CCN(Cc2nc(-c3ccsc3)no2)CC1.
What is the InChIKey of 5-[[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole?
The InChIKey is VXPSUYFHQPZEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN4OS/c19-15-2-1-3-16(20)14(15)10-23-5-7-24(8-6-23)11-17-21-18(22-25-17)13-4-9-26-12-13/h1-4,9,12H,5-8,10-11H2.
What are the key properties of 5-[[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole?
5-[[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole has a molecular weight of 392.89 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 55411022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).