2-(4-fluorophenyl)-3-(furan-2-yl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one

C20H21FN4O3 — CID 110417209

IUPAC2-(4-fluorophenyl)-3-(furan-2-yl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
SMILESCc1nnc(N2CCN(C(=O)C(Cc3ccco3)c3ccc(F)cc3)CC2)o1
InChIInChI=1S/C20H21FN4O3/c1-14-22-23-20(28-14)25-10-8-24(9-11-25)19(26)18(13-17-3-2-12-27-17)15-4-6-16(21)7-5-15/h2-7,12,18H,8-11,13H2,1H3
InChIKeyQUIJNRFSLGQTSX-UHFFFAOYSA-N
MW384.41 g/mol
LogP2.79
Rot. Bonds5

About 2-(4-fluorophenyl)-3-(furan-2-yl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one

2-(4-fluorophenyl)-3-(furan-2-yl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one (PubChem CID 110417209) has the molecular formula C20H21FN4O3 and a molecular weight of 384.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(furan-2-yl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(furan-2-yl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
PubChem CID110417209
Molecular FormulaC20H21FN4O3
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC Name2-(4-fluorophenyl)-3-(furan-2-yl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
SMILESCc1nnc(N2CCN(C(=O)C(Cc3ccco3)c3ccc(F)cc3)CC2)o1
InChIInChI=1S/C20H21FN4O3/c1-14-22-23-20(28-14)25-10-8-24(9-11-25)19(26)18(13-17-3-2-12-27-17)15-4-6-16(21)7-5-15/h2-7,12,18H,8-11,13H2,1H3
InChIKeyQUIJNRFSLGQTSX-UHFFFAOYSA-N
XLogP2.79
TPSA75.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-fluorophenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 110417211
2-(4-fluorophenyl)-3-(furan-2-yl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
CID 110312152
furan-2-yl-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone
CID 110603036
3-(4-fluorophenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
CID 110419586
1-(4-fluorophenyl)-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]butane-1,4-dione
CID 110417236
2-(4-fluorophenyl)-3-(furan-2-yl)-1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]propan-1-one
CID 110308392
4-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(4-propan-2-ylphenyl)pentan-1-one
CID 110419618
2-(3-fluorophenoxy)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone
CID 110665118
(3-bromo-5-fluorophenyl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone
CID 110610752
3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
CID 110417225
2-(4-fluorophenyl)-1-(4-methylpiperazin-1-yl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one
CID 134113416
N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-3-(furan-2-yl)propanamide
CID 110296194

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-(furan-2-yl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-(4-fluorophenyl)-3-(furan-2-yl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one (CID 110417209) is 2-(4-fluorophenyl)-3-(furan-2-yl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(furan-2-yl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-(4-fluorophenyl)-3-(furan-2-yl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one is Cc1nnc(N2CCN(C(=O)C(Cc3ccco3)c3ccc(F)cc3)CC2)o1.
What is the InChIKey of 2-(4-fluorophenyl)-3-(furan-2-yl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one?
The InChIKey is QUIJNRFSLGQTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3/c1-14-22-23-20(28-14)25-10-8-24(9-11-25)19(26)18(13-17-3-2-12-27-17)15-4-6-16(21)7-5-15/h2-7,12,18H,8-11,13H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-3-(furan-2-yl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one?
2-(4-fluorophenyl)-3-(furan-2-yl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one has a molecular weight of 384.41 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(furan-2-yl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 110417209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).