4-[5-(4-fluorophenyl)-1,2,4-oxadiazole-3-carbonyl]-3-(2-methylpropyl)-6-phenylpiperazin-2-one

C23H23FN4O3 — CID 77456582

IUPAC4-[5-(4-fluorophenyl)-1,2,4-oxadiazole-3-carbonyl]-3-(2-methylpropyl)-6-phenylpiperazin-2-one
SMILESCC(C)CC1C(=O)NC(c2ccccc2)CN1C(=O)c1noc(-c2ccc(F)cc2)n1
InChIInChI=1S/C23H23FN4O3/c1-14(2)12-19-21(29)25-18(15-6-4-3-5-7-15)13-28(19)23(30)20-26-22(31-27-20)16-8-10-17(24)11-9-16/h3-11,14,18-19H,12-13H2,1-2H3,(H,25,29)
InChIKeyOKXGPBWACKEZOY-UHFFFAOYSA-N
MW422.46 g/mol
LogP3.60
Rot. Bonds5

About 4-[5-(4-fluorophenyl)-1,2,4-oxadiazole-3-carbonyl]-3-(2-methylpropyl)-6-phenylpiperazin-2-one

4-[5-(4-fluorophenyl)-1,2,4-oxadiazole-3-carbonyl]-3-(2-methylpropyl)-6-phenylpiperazin-2-one (PubChem CID 77456582) has the molecular formula C23H23FN4O3 and a molecular weight of 422.46 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-1,2,4-oxadiazole-3-carbonyl]-3-(2-methylpropyl)-6-phenylpiperazin-2-one.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-1,2,4-oxadiazole-3-carbonyl]-3-(2-methylpropyl)-6-phenylpiperazin-2-one
PubChem CID77456582
Molecular FormulaC23H23FN4O3
Molecular Weight422.46 g/mol
Exact Mass422.18
IUPAC Name4-[5-(4-fluorophenyl)-1,2,4-oxadiazole-3-carbonyl]-3-(2-methylpropyl)-6-phenylpiperazin-2-one
SMILESCC(C)CC1C(=O)NC(c2ccccc2)CN1C(=O)c1noc(-c2ccc(F)cc2)n1
InChIInChI=1S/C23H23FN4O3/c1-14(2)12-19-21(29)25-18(15-6-4-3-5-7-15)13-28(19)23(30)20-26-22(31-27-20)16-8-10-17(24)11-9-16/h3-11,14,18-19H,12-13H2,1-2H3,(H,25,29)
InChIKeyOKXGPBWACKEZOY-UHFFFAOYSA-N
XLogP3.60
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[5-(4-fluorophenyl)-1,2,4-oxadiazole-3-carbonyl]-3-(2-methylpropyl)-6-phenylpiperazin-2-one with MolForge

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Related Compounds

(3S,6S)-6-cyclobutyl-4-[5-(4-fluorophenyl)-1,2,4-oxadiazole-3-carbonyl]-3-(2-methylpropyl)piperazin-2-one;sulfane
CID 159765623
4-[5-(4-chlorophenyl)-1,2,4-oxadiazole-3-carbonyl]-3,6-bis(2-methylpropyl)piperazin-2-one
CID 77456701
4-[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]-1-methyl-3-(2-methylpropyl)-6-phenylpiperazin-2-one
CID 77456608
4-[2-(2,4-difluorophenyl)cyclopropanecarbonyl]-3-(2-methylpropyl)-6-phenylpiperazin-2-one
CID 77456562
3,6-bis(2-methylpropyl)-4-(2-phenyl-1,3-oxazole-4-carbonyl)piperazin-2-one
CID 77456520
4-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3-(2-methylpropyl)-6-phenylpiperazin-2-one
CID 72661039
[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-phenylmethanone
CID 154721844
N-[(4-fluorophenyl)methyl]-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-4-carboxamide
CID 133482179
4-[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]-3,6-bis(2-methylpropyl)piperazin-2-one
CID 77456522
1-[4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-2-phenylpropan-1-one
CID 50755604
(2S,5S)-1-methyl-5-(2-methylpropyl)-2-phenylimidazolidin-4-one
CID 10933359
(2R,5S)-1-methyl-5-(2-methylpropyl)-2-phenylimidazolidin-4-one
CID 10966388

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-1,2,4-oxadiazole-3-carbonyl]-3-(2-methylpropyl)-6-phenylpiperazin-2-one?
The IUPAC name of 4-[5-(4-fluorophenyl)-1,2,4-oxadiazole-3-carbonyl]-3-(2-methylpropyl)-6-phenylpiperazin-2-one (CID 77456582) is 4-[5-(4-fluorophenyl)-1,2,4-oxadiazole-3-carbonyl]-3-(2-methylpropyl)-6-phenylpiperazin-2-one.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-1,2,4-oxadiazole-3-carbonyl]-3-(2-methylpropyl)-6-phenylpiperazin-2-one?
The canonical SMILES for 4-[5-(4-fluorophenyl)-1,2,4-oxadiazole-3-carbonyl]-3-(2-methylpropyl)-6-phenylpiperazin-2-one is CC(C)CC1C(=O)NC(c2ccccc2)CN1C(=O)c1noc(-c2ccc(F)cc2)n1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-1,2,4-oxadiazole-3-carbonyl]-3-(2-methylpropyl)-6-phenylpiperazin-2-one?
The InChIKey is OKXGPBWACKEZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O3/c1-14(2)12-19-21(29)25-18(15-6-4-3-5-7-15)13-28(19)23(30)20-26-22(31-27-20)16-8-10-17(24)11-9-16/h3-11,14,18-19H,12-13H2,1-2H3,(H,25,29).
What are the key properties of 4-[5-(4-fluorophenyl)-1,2,4-oxadiazole-3-carbonyl]-3-(2-methylpropyl)-6-phenylpiperazin-2-one?
4-[5-(4-fluorophenyl)-1,2,4-oxadiazole-3-carbonyl]-3-(2-methylpropyl)-6-phenylpiperazin-2-one has a molecular weight of 422.46 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-1,2,4-oxadiazole-3-carbonyl]-3-(2-methylpropyl)-6-phenylpiperazin-2-one is sourced from PubChem (CID 77456582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).