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

C17H17FN6O2 — CID 129325100

IUPAC1-[(2R)-2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
SMILESO=C(Cn1cncn1)N1CCCC[C@@H]1c1nnc(-c2ccccc2F)o1
InChIInChI=1S/C17H17FN6O2/c18-13-6-2-1-5-12(13)16-21-22-17(26-16)14-7-3-4-8-24(14)15(25)9-23-11-19-10-20-23/h1-2,5-6,10-11,14H,3-4,7-9H2/t14-/m1/s1
InChIKeyWCIZPYPEDOLBOA-CQSZACIVSA-N
MW356.36 g/mol
LogP2.22
Rot. Bonds4

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

1-[(2R)-2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone (PubChem CID 129325100) has the molecular formula C17H17FN6O2 and a molecular weight of 356.36 g/mol. Its IUPAC name is 1-[(2R)-2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[(2R)-2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
PubChem CID129325100
Molecular FormulaC17H17FN6O2
Molecular Weight356.36 g/mol
Exact Mass356.14
IUPAC Name1-[(2R)-2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
SMILESO=C(Cn1cncn1)N1CCCC[C@@H]1c1nnc(-c2ccccc2F)o1
InChIInChI=1S/C17H17FN6O2/c18-13-6-2-1-5-12(13)16-21-22-17(26-16)14-7-3-4-8-24(14)15(25)9-23-11-19-10-20-23/h1-2,5-6,10-11,14H,3-4,7-9H2/t14-/m1/s1
InChIKeyWCIZPYPEDOLBOA-CQSZACIVSA-N
XLogP2.22
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-pyrrol-1-ylpropan-1-one
CID 128993847
(2-chloro-4-pyridinyl)-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
CID 87516317
2-(2-fluorophenyl)-1-[2-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]piperidin-1-yl]ethanone
CID 110252818
3-[[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137218353
N-[2-[(2R)-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-2-yl]ethyl]benzamide
CID 92634245
2-[(2R)-1-[(1-tert-butyltriazol-4-yl)methyl]piperidin-2-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
CID 129324629
1-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
CID 132650199
cyclopropyl-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
CID 75615760
2-[[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]-3-methylquinazolin-4-one
CID 128992171
1-[4-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-phenylethanone
CID 99963248
1-[(3R)-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-phenylethanone
CID 99963593
(2,6-difluorophenyl)-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
CID 10316214

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone?
The IUPAC name of 1-[(2R)-2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone (CID 129325100) is 1-[(2R)-2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone.
What is the SMILES notation for 1-[(2R)-2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone?
The canonical SMILES for 1-[(2R)-2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone is O=C(Cn1cncn1)N1CCCC[C@@H]1c1nnc(-c2ccccc2F)o1.
What is the InChIKey of 1-[(2R)-2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone?
The InChIKey is WCIZPYPEDOLBOA-CQSZACIVSA-N. The full InChI is InChI=1S/C17H17FN6O2/c18-13-6-2-1-5-12(13)16-21-22-17(26-16)14-7-3-4-8-24(14)15(25)9-23-11-19-10-20-23/h1-2,5-6,10-11,14H,3-4,7-9H2/t14-/m1/s1.
What are the key properties of 1-[(2R)-2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone?
1-[(2R)-2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone has a molecular weight of 356.36 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone is sourced from PubChem (CID 129325100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).