2-cyclopropyl-5-[[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole

C15H18FN5O — CID 171999803

IUPAC2-cyclopropyl-5-[[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESFc1cccc(N2CCN(Cc3nnc(C4CC4)o3)CC2)n1
InChIInChI=1S/C15H18FN5O/c16-12-2-1-3-13(17-12)21-8-6-20(7-9-21)10-14-18-19-15(22-14)11-4-5-11/h1-3,11H,4-10H2
InChIKeyZLYAYDIRQCBDAA-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.80
Rot. Bonds4

About 2-cyclopropyl-5-[[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole

2-cyclopropyl-5-[[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 171999803) has the molecular formula C15H18FN5O and a molecular weight of 303.34 g/mol. Its IUPAC name is 2-cyclopropyl-5-[[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID171999803
Molecular FormulaC15H18FN5O
Molecular Weight303.34 g/mol
Exact Mass303.15
IUPAC Name2-cyclopropyl-5-[[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESFc1cccc(N2CCN(Cc3nnc(C4CC4)o3)CC2)n1
InChIInChI=1S/C15H18FN5O/c16-12-2-1-3-13(17-12)21-8-6-20(7-9-21)10-14-18-19-15(22-14)11-4-5-11/h1-3,11H,4-10H2
InChIKeyZLYAYDIRQCBDAA-UHFFFAOYSA-N
XLogP1.80
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-cyclopropyl-5-[[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-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

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-cyclopropyl-5-[[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole (CID 171999803) is 2-cyclopropyl-5-[[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclopropyl-5-[[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclopropyl-5-[[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole is Fc1cccc(N2CCN(Cc3nnc(C4CC4)o3)CC2)n1.
What is the InChIKey of 2-cyclopropyl-5-[[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is ZLYAYDIRQCBDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O/c16-12-2-1-3-13(17-12)21-8-6-20(7-9-21)10-14-18-19-15(22-14)11-4-5-11/h1-3,11H,4-10H2.
What are the key properties of 2-cyclopropyl-5-[[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole?
2-cyclopropyl-5-[[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 303.34 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 171999803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).