3-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[(4-methylpiperazin-1-yl)-phenylmethyl]-1,2,4-oxadiazole

C25H24FN5O2 — CID 102563402

IUPAC3-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[(4-methylpiperazin-1-yl)-phenylmethyl]-1,2,4-oxadiazole
SMILESCN1CCN(C(c2ccccc2)c2nc(-c3ccc(Oc4ccc(F)cc4)nc3)no2)CC1
InChIInChI=1S/C25H24FN5O2/c1-30-13-15-31(16-14-30)23(18-5-3-2-4-6-18)25-28-24(29-33-25)19-7-12-22(27-17-19)32-21-10-8-20(26)9-11-21/h2-12,17,23H,13-16H2,1H3
InChIKeyFCYXATCPXJCUSV-UHFFFAOYSA-N
MW445.50 g/mol
LogP4.40
Rot. Bonds6

About 3-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[(4-methylpiperazin-1-yl)-phenylmethyl]-1,2,4-oxadiazole

3-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[(4-methylpiperazin-1-yl)-phenylmethyl]-1,2,4-oxadiazole (PubChem CID 102563402) has the molecular formula C25H24FN5O2 and a molecular weight of 445.50 g/mol. Its IUPAC name is 3-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[(4-methylpiperazin-1-yl)-phenylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[(4-methylpiperazin-1-yl)-phenylmethyl]-1,2,4-oxadiazole
PubChem CID102563402
Molecular FormulaC25H24FN5O2
Molecular Weight445.50 g/mol
Exact Mass445.19
IUPAC Name3-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[(4-methylpiperazin-1-yl)-phenylmethyl]-1,2,4-oxadiazole
SMILESCN1CCN(C(c2ccccc2)c2nc(-c3ccc(Oc4ccc(F)cc4)nc3)no2)CC1
InChIInChI=1S/C25H24FN5O2/c1-30-13-15-31(16-14-30)23(18-5-3-2-4-6-18)25-28-24(29-33-25)19-7-12-22(27-17-19)32-21-10-8-20(26)9-11-21/h2-12,17,23H,13-16H2,1H3
InChIKeyFCYXATCPXJCUSV-UHFFFAOYSA-N
XLogP4.40
TPSA67.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[(4-methylpiperazin-1-yl)-phenylmethyl]-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-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[(4-methylpiperazin-1-yl)-phenylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[(4-methylpiperazin-1-yl)-phenylmethyl]-1,2,4-oxadiazole (CID 102563402) is 3-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[(4-methylpiperazin-1-yl)-phenylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[(4-methylpiperazin-1-yl)-phenylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[(4-methylpiperazin-1-yl)-phenylmethyl]-1,2,4-oxadiazole is CN1CCN(C(c2ccccc2)c2nc(-c3ccc(Oc4ccc(F)cc4)nc3)no2)CC1.
What is the InChIKey of 3-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[(4-methylpiperazin-1-yl)-phenylmethyl]-1,2,4-oxadiazole?
The InChIKey is FCYXATCPXJCUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O2/c1-30-13-15-31(16-14-30)23(18-5-3-2-4-6-18)25-28-24(29-33-25)19-7-12-22(27-17-19)32-21-10-8-20(26)9-11-21/h2-12,17,23H,13-16H2,1H3.
What are the key properties of 3-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[(4-methylpiperazin-1-yl)-phenylmethyl]-1,2,4-oxadiazole?
3-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[(4-methylpiperazin-1-yl)-phenylmethyl]-1,2,4-oxadiazole has a molecular weight of 445.50 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[(4-methylpiperazin-1-yl)-phenylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 102563402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).