3-(4-fluorophenyl)-5-[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole

C20H22FN5O2 — CID 133469598

IUPAC3-(4-fluorophenyl)-5-[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole
SMILESCC(C)Oc1nccnc1N1CCCC(c2nc(-c3ccc(F)cc3)no2)C1
InChIInChI=1S/C20H22FN5O2/c1-13(2)27-20-18(22-9-10-23-20)26-11-3-4-15(12-26)19-24-17(25-28-19)14-5-7-16(21)8-6-14/h5-10,13,15H,3-4,11-12H2,1-2H3
InChIKeyBHVZMCUAVALPTI-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.84
Rot. Bonds5

About 3-(4-fluorophenyl)-5-[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole

3-(4-fluorophenyl)-5-[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole (PubChem CID 133469598) has the molecular formula C20H22FN5O2 and a molecular weight of 383.43 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole
PubChem CID133469598
Molecular FormulaC20H22FN5O2
Molecular Weight383.43 g/mol
Exact Mass383.18
IUPAC Name3-(4-fluorophenyl)-5-[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole
SMILESCC(C)Oc1nccnc1N1CCCC(c2nc(-c3ccc(F)cc3)no2)C1
InChIInChI=1S/C20H22FN5O2/c1-13(2)27-20-18(22-9-10-23-20)26-11-3-4-15(12-26)19-24-17(25-28-19)14-5-7-16(21)8-6-14/h5-10,13,15H,3-4,11-12H2,1-2H3
InChIKeyBHVZMCUAVALPTI-UHFFFAOYSA-N
XLogP3.84
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(4-fluorophenyl)-5-[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-(4-fluorophenyl)-5-[1-(3-nitro-2-pyridinyl)piperidin-3-yl]-1,2,4-oxadiazole
CID 133282045
5-[1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 133284910
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-quinoxalin-6-ylmethanone
CID 58066194
2-ethyl-1-[(3R)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
CID 1453889
3-(4-fluorophenyl)-5-[(3R)-1-[(1R)-1-(3-fluorophenyl)ethyl]piperidin-3-yl]-1,2,4-oxadiazole
CID 98787086
3-(4-fluorophenyl)-5-[1-(5-nitro-2-pyridinyl)piperidin-3-yl]-1,2,4-oxadiazole
CID 133282085
1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropan-2-ol
CID 111112622
3-(4-fluorophenyl)-5-[(3S)-1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 92751745
3-(4-fluorophenyl)-5-[1-(2-nitrophenyl)piperidin-3-yl]-1,2,4-oxadiazole
CID 133284927
3-(4-fluorophenyl)-5-[(3S)-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-3-yl]-1,2,4-oxadiazole
CID 52502199
(4-fluorophenyl)-[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone;sulfane
CID 160506516
(4-fluorophenyl)-[(3R)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 1456768

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-fluorophenyl)-5-[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole (CID 133469598) is 3-(4-fluorophenyl)-5-[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole is CC(C)Oc1nccnc1N1CCCC(c2nc(-c3ccc(F)cc3)no2)C1.
What is the InChIKey of 3-(4-fluorophenyl)-5-[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is BHVZMCUAVALPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O2/c1-13(2)27-20-18(22-9-10-23-20)26-11-3-4-15(12-26)19-24-17(25-28-19)14-5-7-16(21)8-6-14/h5-10,13,15H,3-4,11-12H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-5-[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole?
3-(4-fluorophenyl)-5-[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 383.43 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 133469598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).