3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one

C19H20FN5O2 — CID 126436182

IUPAC3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
SMILESO=C(CCc1nc(-c2ccccc2F)no1)N1CCC[C@H](c2ccn[nH]2)C1
InChIInChI=1S/C19H20FN5O2/c20-15-6-2-1-5-14(15)19-22-17(27-24-19)7-8-18(26)25-11-3-4-13(12-25)16-9-10-21-23-16/h1-2,5-6,9-10,13H,3-4,7-8,11-12H2,(H,21,23)/t13-/m0/s1
InChIKeyAANWEDHACVSSBI-ZDUSSCGKSA-N
MW369.40 g/mol
LogP2.94
Rot. Bonds5

About 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one

3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one (PubChem CID 126436182) has the molecular formula C19H20FN5O2 and a molecular weight of 369.40 g/mol. Its IUPAC name is 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
PubChem CID126436182
Molecular FormulaC19H20FN5O2
Molecular Weight369.40 g/mol
Exact Mass369.16
IUPAC Name3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
SMILESO=C(CCc1nc(-c2ccccc2F)no1)N1CCC[C@H](c2ccn[nH]2)C1
InChIInChI=1S/C19H20FN5O2/c20-15-6-2-1-5-14(15)19-22-17(27-24-19)7-8-18(26)25-11-3-4-13(12-25)16-9-10-21-23-16/h1-2,5-6,9-10,13H,3-4,7-8,11-12H2,(H,21,23)/t13-/m0/s1
InChIKeyAANWEDHACVSSBI-ZDUSSCGKSA-N
XLogP2.94
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-propyl-1,2,4-oxadiazol-5-yl)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 95768717
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]propan-1-one
CID 70788558
1-[3-(2-fluorophenyl)pyrrolidin-1-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 70722217
1-phenyl-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]butane-1,4-dione
CID 97080910
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 95845538
2-cyclopentyl-1-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone
CID 90641150
1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 125012670
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylic acid
CID 68930683
(3aR,6aR)-5-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid
CID 139599744
2-(4-fluorophenoxy)-1-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone
CID 90641193
3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 3747520
1-[3-[2-(dimethylamino)-5-(2-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 110266666

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one (CID 126436182) is 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one is O=C(CCc1nc(-c2ccccc2F)no1)N1CCC[C@H](c2ccn[nH]2)C1.
What is the InChIKey of 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The InChIKey is AANWEDHACVSSBI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20FN5O2/c20-15-6-2-1-5-14(15)19-22-17(27-24-19)7-8-18(26)25-11-3-4-13(12-25)16-9-10-21-23-16/h1-2,5-6,9-10,13H,3-4,7-8,11-12H2,(H,21,23)/t13-/m0/s1.
What are the key properties of 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one has a molecular weight of 369.40 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 126436182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).