1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-3-phenylsulfanylpropan-1-one

C22H22FN3O2S — CID 121069477

IUPAC1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-3-phenylsulfanylpropan-1-one
SMILESO=C(CCSc1ccccc1)N1CCCC(c2nnc(-c3ccc(F)cc3)o2)C1
InChIInChI=1S/C22H22FN3O2S/c23-18-10-8-16(9-11-18)21-24-25-22(28-21)17-5-4-13-26(15-17)20(27)12-14-29-19-6-2-1-3-7-19/h1-3,6-11,17H,4-5,12-15H2
InChIKeyFXFZNHNDQMHAAZ-UHFFFAOYSA-N
MW411.50 g/mol
LogP4.76
Rot. Bonds6

About 1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-3-phenylsulfanylpropan-1-one

1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-3-phenylsulfanylpropan-1-one (PubChem CID 121069477) has the molecular formula C22H22FN3O2S and a molecular weight of 411.50 g/mol. Its IUPAC name is 1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-3-phenylsulfanylpropan-1-one.

Molecular Properties

Compound Name1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-3-phenylsulfanylpropan-1-one
PubChem CID121069477
Molecular FormulaC22H22FN3O2S
Molecular Weight411.50 g/mol
Exact Mass411.14
IUPAC Name1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-3-phenylsulfanylpropan-1-one
SMILESO=C(CCSc1ccccc1)N1CCCC(c2nnc(-c3ccc(F)cc3)o2)C1
InChIInChI=1S/C22H22FN3O2S/c23-18-10-8-16(9-11-18)21-24-25-22(28-21)17-5-4-13-26(15-17)20(27)12-14-29-19-6-2-1-3-7-19/h1-3,6-11,17H,4-5,12-15H2
InChIKeyFXFZNHNDQMHAAZ-UHFFFAOYSA-N
XLogP4.76
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-3-phenylsulfanylpropan-1-one with MolForge

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Related Compounds

1-[(3S)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one
CID 99963533
2-(4-fluorophenyl)sulfanyl-1-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
CID 121069241
(E)-1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 121069385
1-[2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 121069465
1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanone
CID 121069478
1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 121069413
1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 121069321
(4-fluorophenyl)-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 132654703
[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 121069334
[(3R)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 99963540
[(3R)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 99963542
phenyl-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 92897703

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-3-phenylsulfanylpropan-1-one?
The IUPAC name of 1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-3-phenylsulfanylpropan-1-one (CID 121069477) is 1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-3-phenylsulfanylpropan-1-one.
What is the SMILES notation for 1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-3-phenylsulfanylpropan-1-one?
The canonical SMILES for 1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-3-phenylsulfanylpropan-1-one is O=C(CCSc1ccccc1)N1CCCC(c2nnc(-c3ccc(F)cc3)o2)C1.
What is the InChIKey of 1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-3-phenylsulfanylpropan-1-one?
The InChIKey is FXFZNHNDQMHAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2S/c23-18-10-8-16(9-11-18)21-24-25-22(28-21)17-5-4-13-26(15-17)20(27)12-14-29-19-6-2-1-3-7-19/h1-3,6-11,17H,4-5,12-15H2.
What are the key properties of 1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-3-phenylsulfanylpropan-1-one?
1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-3-phenylsulfanylpropan-1-one has a molecular weight of 411.50 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-3-phenylsulfanylpropan-1-one is sourced from PubChem (CID 121069477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).