2-(2-chloroethyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,4-oxadiazole

C14H16ClFN4O — CID 106959086

IUPAC2-(2-chloroethyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,4-oxadiazole
SMILESFc1ccc(N2CCN(c3nnc(CCCl)o3)CC2)cc1
InChIInChI=1S/C14H16ClFN4O/c15-6-5-13-17-18-14(21-13)20-9-7-19(8-10-20)12-3-1-11(16)2-4-12/h1-4H,5-10H2
InChIKeyUEKRAQCUHWKKPY-UHFFFAOYSA-N
MW310.76 g/mol
LogP2.32
Rot. Bonds4

About 2-(2-chloroethyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,4-oxadiazole

2-(2-chloroethyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,4-oxadiazole (PubChem CID 106959086) has the molecular formula C14H16ClFN4O and a molecular weight of 310.76 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,4-oxadiazole
PubChem CID106959086
Molecular FormulaC14H16ClFN4O
Molecular Weight310.76 g/mol
Exact Mass310.10
IUPAC Name2-(2-chloroethyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,4-oxadiazole
SMILESFc1ccc(N2CCN(c3nnc(CCCl)o3)CC2)cc1
InChIInChI=1S/C14H16ClFN4O/c15-6-5-13-17-18-14(21-13)20-9-7-19(8-10-20)12-3-1-11(16)2-4-12/h1-4H,5-10H2
InChIKeyUEKRAQCUHWKKPY-UHFFFAOYSA-N
XLogP2.32
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-(2-chloroethyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,4-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-(2-chloroethyl)-5-(4,4-dimethylpiperidin-1-yl)-1,3,4-oxadiazole
CID 106957615
2-(2-chloroethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 39246914
2-(2-chloroethyl)-5-(4-ethyl-4-methylpiperidin-1-yl)-1,3,4-oxadiazole
CID 106957628
2-[5-[4-(3-chlorophenyl)piperazin-1-yl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 106966850
2-(3-azabicyclo[4.1.0]heptan-3-yl)-5-(2-chloroethyl)-1,3,4-oxadiazole
CID 164645456
2-[(3S)-3-(4-fluorophenyl)pyrrolidin-1-yl]-5-propyl-1,3,4-oxadiazole
CID 97192725
6-fluoro-2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-benzoxazole
CID 163357218
5-[4-(4-chlorophenyl)piperazin-1-yl]-1,3,4-oxadiazol-2-amine
CID 103436524
1-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-3-methylpiperidin-3-ol
CID 106958664
1-[4-(chloromethyl)-3-pyridinyl]-4-(4-fluorophenyl)piperazine
CID 105067256
3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 110333834
13-(4-fluorophenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102356016

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2-chloroethyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,4-oxadiazole (CID 106959086) is 2-(2-chloroethyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-chloroethyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-chloroethyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,4-oxadiazole is Fc1ccc(N2CCN(c3nnc(CCCl)o3)CC2)cc1.
What is the InChIKey of 2-(2-chloroethyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,4-oxadiazole?
The InChIKey is UEKRAQCUHWKKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN4O/c15-6-5-13-17-18-14(21-13)20-9-7-19(8-10-20)12-3-1-11(16)2-4-12/h1-4H,5-10H2.
What are the key properties of 2-(2-chloroethyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,4-oxadiazole?
2-(2-chloroethyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,4-oxadiazole has a molecular weight of 310.76 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 106959086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).