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

C21H20FN3O2 — CID 99963248

IUPAC1-[4-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCC(c2nnc(-c3ccccc3F)o2)CC1
InChIInChI=1S/C21H20FN3O2/c22-18-9-5-4-8-17(18)21-24-23-20(27-21)16-10-12-25(13-11-16)19(26)14-15-6-2-1-3-7-15/h1-9,16H,10-14H2
InChIKeyJWIMHMZVHSBKNG-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.82
Rot. Bonds4

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

1-[4-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-phenylethanone (PubChem CID 99963248) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 1-[4-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-phenylethanone
PubChem CID99963248
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name1-[4-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCC(c2nnc(-c3ccccc3F)o2)CC1
InChIInChI=1S/C21H20FN3O2/c22-18-9-5-4-8-17(18)21-24-23-20(27-21)16-10-12-25(13-11-16)19(26)14-15-6-2-1-3-7-15/h1-9,16H,10-14H2
InChIKeyJWIMHMZVHSBKNG-UHFFFAOYSA-N
XLogP3.82
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-phenylethanone
CID 99963593
cyclopropyl-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
CID 75615760
1-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
CID 132650199
[4-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 99963249
[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(furan-2-yl)methanone
CID 132652159
1-[(3S)-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 99964051
1-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one
CID 99963272
(3,4-dimethoxyphenyl)-[(3S)-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
CID 51137765
2-(3-methylphenyl)-1-[4-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
CID 92560617
3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbaldehyde
CID 132649682
2-(1-cyclohexylpyrrolidin-3-yl)-5-(2-fluorophenyl)-1,3,4-oxadiazole
CID 75615647
2-(2-fluorophenyl)-5-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137666

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[4-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-phenylethanone (CID 99963248) is 1-[4-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-phenylethanone is O=C(Cc1ccccc1)N1CCC(c2nnc(-c3ccccc3F)o2)CC1.
What is the InChIKey of 1-[4-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-phenylethanone?
The InChIKey is JWIMHMZVHSBKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c22-18-9-5-4-8-17(18)21-24-23-20(27-21)16-10-12-25(13-11-16)19(26)14-15-6-2-1-3-7-15/h1-9,16H,10-14H2.
What are the key properties of 1-[4-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-phenylethanone?
1-[4-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-phenylethanone has a molecular weight of 365.41 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 99963248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).