3-[2-(2-chloro-6-fluorophenyl)ethyl]-5-(1-pyrazol-1-ylcyclopropyl)-1,2,4-oxadiazole

C16H14ClFN4O — CID 154782359

IUPAC3-[2-(2-chloro-6-fluorophenyl)ethyl]-5-(1-pyrazol-1-ylcyclopropyl)-1,2,4-oxadiazole
SMILESFc1cccc(Cl)c1CCc1noc(C2(n3cccn3)CC2)n1
InChIInChI=1S/C16H14ClFN4O/c17-12-3-1-4-13(18)11(12)5-6-14-20-15(23-21-14)16(7-8-16)22-10-2-9-19-22/h1-4,9-10H,5-8H2
InChIKeyBXZMJBPCFDOLBY-UHFFFAOYSA-N
MW332.77 g/mol
LogP3.38
Rot. Bonds5

About 3-[2-(2-chloro-6-fluorophenyl)ethyl]-5-(1-pyrazol-1-ylcyclopropyl)-1,2,4-oxadiazole

3-[2-(2-chloro-6-fluorophenyl)ethyl]-5-(1-pyrazol-1-ylcyclopropyl)-1,2,4-oxadiazole (PubChem CID 154782359) has the molecular formula C16H14ClFN4O and a molecular weight of 332.77 g/mol. Its IUPAC name is 3-[2-(2-chloro-6-fluorophenyl)ethyl]-5-(1-pyrazol-1-ylcyclopropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-(2-chloro-6-fluorophenyl)ethyl]-5-(1-pyrazol-1-ylcyclopropyl)-1,2,4-oxadiazole
PubChem CID154782359
Molecular FormulaC16H14ClFN4O
Molecular Weight332.77 g/mol
Exact Mass332.08
IUPAC Name3-[2-(2-chloro-6-fluorophenyl)ethyl]-5-(1-pyrazol-1-ylcyclopropyl)-1,2,4-oxadiazole
SMILESFc1cccc(Cl)c1CCc1noc(C2(n3cccn3)CC2)n1
InChIInChI=1S/C16H14ClFN4O/c17-12-3-1-4-13(18)11(12)5-6-14-20-15(23-21-14)16(7-8-16)22-10-2-9-19-22/h1-4,9-10H,5-8H2
InChIKeyBXZMJBPCFDOLBY-UHFFFAOYSA-N
XLogP3.38
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.77
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[2-(2-chloro-6-fluorophenyl)ethyl]-5-(1-pyrazol-1-ylcyclopropyl)-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

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-chloro-6-fluorophenyl)ethyl]-5-(1-pyrazol-1-ylcyclopropyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[2-(2-chloro-6-fluorophenyl)ethyl]-5-(1-pyrazol-1-ylcyclopropyl)-1,2,4-oxadiazole (CID 154782359) is 3-[2-(2-chloro-6-fluorophenyl)ethyl]-5-(1-pyrazol-1-ylcyclopropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-(2-chloro-6-fluorophenyl)ethyl]-5-(1-pyrazol-1-ylcyclopropyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-(2-chloro-6-fluorophenyl)ethyl]-5-(1-pyrazol-1-ylcyclopropyl)-1,2,4-oxadiazole is Fc1cccc(Cl)c1CCc1noc(C2(n3cccn3)CC2)n1.
What is the InChIKey of 3-[2-(2-chloro-6-fluorophenyl)ethyl]-5-(1-pyrazol-1-ylcyclopropyl)-1,2,4-oxadiazole?
The InChIKey is BXZMJBPCFDOLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN4O/c17-12-3-1-4-13(18)11(12)5-6-14-20-15(23-21-14)16(7-8-16)22-10-2-9-19-22/h1-4,9-10H,5-8H2.
What are the key properties of 3-[2-(2-chloro-6-fluorophenyl)ethyl]-5-(1-pyrazol-1-ylcyclopropyl)-1,2,4-oxadiazole?
3-[2-(2-chloro-6-fluorophenyl)ethyl]-5-(1-pyrazol-1-ylcyclopropyl)-1,2,4-oxadiazole has a molecular weight of 332.77 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-chloro-6-fluorophenyl)ethyl]-5-(1-pyrazol-1-ylcyclopropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 154782359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).