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

C21H20FN3O2 — CID 99963593

IUPAC1-[(3R)-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCC[C@@H](c2nnc(-c3ccccc3F)o2)C1
InChIInChI=1S/C21H20FN3O2/c22-18-11-5-4-10-17(18)21-24-23-20(27-21)16-9-6-12-25(14-16)19(26)13-15-7-2-1-3-8-15/h1-5,7-8,10-11,16H,6,9,12-14H2/t16-/m1/s1
InChIKeyBIWDHGODFQTPAQ-MRXNPFEDSA-N
MW365.41 g/mol
LogP3.82
Rot. Bonds4

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

1-[(3R)-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-phenylethanone (PubChem CID 99963593) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 1-[(3R)-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[(3R)-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-phenylethanone
PubChem CID99963593
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name1-[(3R)-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCC[C@@H](c2nnc(-c3ccccc3F)o2)C1
InChIInChI=1S/C21H20FN3O2/c22-18-11-5-4-10-17(18)21-24-23-20(27-21)16-9-6-12-25(14-16)19(26)13-15-7-2-1-3-8-15/h1-5,7-8,10-11,16H,6,9,12-14H2/t16-/m1/s1
InChIKeyBIWDHGODFQTPAQ-MRXNPFEDSA-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-[4-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-phenylethanone
CID 99963248
1-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
CID 132650199
[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
3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbaldehyde
CID 132649682
cyclopropyl-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
CID 75615760
1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 121069413
3-phenyl-1-[(3R)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one
CID 92574587
1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanone
CID 121069478
phenyl-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 92897703
2-(4-fluorophenyl)-1-[3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110255072
(3,4-dimethoxyphenyl)-[(3S)-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
CID 51137765

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[(3R)-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-phenylethanone (CID 99963593) is 1-[(3R)-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[(3R)-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[(3R)-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-phenylethanone is O=C(Cc1ccccc1)N1CCC[C@@H](c2nnc(-c3ccccc3F)o2)C1.
What is the InChIKey of 1-[(3R)-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-phenylethanone?
The InChIKey is BIWDHGODFQTPAQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H20FN3O2/c22-18-11-5-4-10-17(18)21-24-23-20(27-21)16-9-6-12-25(14-16)19(26)13-15-7-2-1-3-8-15/h1-5,7-8,10-11,16H,6,9,12-14H2/t16-/m1/s1.
What are the key properties of 1-[(3R)-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-phenylethanone?
1-[(3R)-3-[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-[(3R)-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 99963593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).