[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C24H20FN5O2 — CID 50828661

IUPAC[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cccc(-c2nc(-c3cccc(F)c3)no2)c1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C24H20FN5O2/c25-20-8-4-5-17(16-20)22-27-23(32-28-22)18-6-3-7-19(15-18)24(31)30-13-11-29(12-14-30)21-9-1-2-10-26-21/h1-10,15-16H,11-14H2
InChIKeyGFFMHSGUERGCHQ-UHFFFAOYSA-N
MW429.46 g/mol
LogP3.90
Rot. Bonds4

About [3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 50828661) has the molecular formula C24H20FN5O2 and a molecular weight of 429.46 g/mol. Its IUPAC name is [3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID50828661
Molecular FormulaC24H20FN5O2
Molecular Weight429.46 g/mol
Exact Mass429.16
IUPAC Name[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cccc(-c2nc(-c3cccc(F)c3)no2)c1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C24H20FN5O2/c25-20-8-4-5-17(16-20)22-27-23(32-28-22)18-6-3-7-19(15-18)24(31)30-13-11-29(12-14-30)21-9-1-2-10-26-21/h1-10,15-16H,11-14H2
InChIKeyGFFMHSGUERGCHQ-UHFFFAOYSA-N
XLogP3.90
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 50828661) is [3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(c1cccc(-c2nc(-c3cccc(F)c3)no2)c1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of [3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is GFFMHSGUERGCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O2/c25-20-8-4-5-17(16-20)22-27-23(32-28-22)18-6-3-7-19(15-18)24(31)30-13-11-29(12-14-30)21-9-1-2-10-26-21/h1-10,15-16H,11-14H2.
What are the key properties of [3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 429.46 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 50828661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).