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

C15H18FN5O — CID 171999804

IUPAC2-cyclopropyl-5-[[4-(2-fluoro-4-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESFc1cc(N2CCN(Cc3nnc(C4CC4)o3)CC2)ccn1
InChIInChI=1S/C15H18FN5O/c16-13-9-12(3-4-17-13)21-7-5-20(6-8-21)10-14-18-19-15(22-14)11-1-2-11/h3-4,9,11H,1-2,5-8,10H2
InChIKeyKTZJPAONFQSBKK-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.80
Rot. Bonds4

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

2-cyclopropyl-5-[[4-(2-fluoro-4-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 171999804) has the molecular formula C15H18FN5O and a molecular weight of 303.34 g/mol. Its IUPAC name is 2-cyclopropyl-5-[[4-(2-fluoro-4-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[[4-(2-fluoro-4-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID171999804
Molecular FormulaC15H18FN5O
Molecular Weight303.34 g/mol
Exact Mass303.15
IUPAC Name2-cyclopropyl-5-[[4-(2-fluoro-4-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESFc1cc(N2CCN(Cc3nnc(C4CC4)o3)CC2)ccn1
InChIInChI=1S/C15H18FN5O/c16-13-9-12(3-4-17-13)21-7-5-20(6-8-21)10-14-18-19-15(22-14)11-1-2-11/h3-4,9,11H,1-2,5-8,10H2
InChIKeyKTZJPAONFQSBKK-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[[4-(2-fluoro-4-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-cyclopropyl-5-[[4-(2-fluoro-4-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole (CID 171999804) is 2-cyclopropyl-5-[[4-(2-fluoro-4-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclopropyl-5-[[4-(2-fluoro-4-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclopropyl-5-[[4-(2-fluoro-4-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole is Fc1cc(N2CCN(Cc3nnc(C4CC4)o3)CC2)ccn1.
What is the InChIKey of 2-cyclopropyl-5-[[4-(2-fluoro-4-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is KTZJPAONFQSBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O/c16-13-9-12(3-4-17-13)21-7-5-20(6-8-21)10-14-18-19-15(22-14)11-1-2-11/h3-4,9,11H,1-2,5-8,10H2.
What are the key properties of 2-cyclopropyl-5-[[4-(2-fluoro-4-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole?
2-cyclopropyl-5-[[4-(2-fluoro-4-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-(2-fluoro-4-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 171999804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).