[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone

C24H19FN4O4 — CID 46288623

IUPAC[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(C(=O)c2ccccc2-c2nc(-c3ccc(F)cc3)no2)CC1
InChIInChI=1S/C24H19FN4O4/c25-17-9-7-16(8-10-17)21-26-22(33-27-21)18-4-1-2-5-19(18)23(30)28-11-13-29(14-12-28)24(31)20-6-3-15-32-20/h1-10,15H,11-14H2
InChIKeyJXEVCEKBUMGIPB-UHFFFAOYSA-N
MW446.44 g/mol
LogP3.73
Rot. Bonds4

About [2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone

[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 46288623) has the molecular formula C24H19FN4O4 and a molecular weight of 446.44 g/mol. Its IUPAC name is [2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
PubChem CID46288623
Molecular FormulaC24H19FN4O4
Molecular Weight446.44 g/mol
Exact Mass446.14
IUPAC Name[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(C(=O)c2ccccc2-c2nc(-c3ccc(F)cc3)no2)CC1
InChIInChI=1S/C24H19FN4O4/c25-17-9-7-16(8-10-17)21-26-22(33-27-21)18-4-1-2-5-19(18)23(30)28-11-13-29(14-12-28)24(31)20-6-3-15-32-20/h1-10,15H,11-14H2
InChIKeyJXEVCEKBUMGIPB-UHFFFAOYSA-N
XLogP3.73
TPSA92.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.44
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of [2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone (CID 46288623) is [2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone is O=C(c1ccco1)N1CCN(C(=O)c2ccccc2-c2nc(-c3ccc(F)cc3)no2)CC1.
What is the InChIKey of [2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is JXEVCEKBUMGIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O4/c25-17-9-7-16(8-10-17)21-26-22(33-27-21)18-4-1-2-5-19(18)23(30)28-11-13-29(14-12-28)24(31)20-6-3-15-32-20/h1-10,15H,11-14H2.
What are the key properties of [2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?
[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 446.44 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 46288623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).