[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone

C22H20FN5O3 — CID 90641114

IUPAC[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
SMILESO=C(c1cc(-c2ccco2)[nH]n1)N1CCCC(Cc2nc(-c3ccccc3F)no2)C1
InChIInChI=1S/C22H20FN5O3/c23-16-7-2-1-6-15(16)21-24-20(31-27-21)11-14-5-3-9-28(13-14)22(29)18-12-17(25-26-18)19-8-4-10-30-19/h1-2,4,6-8,10,12,14H,3,5,9,11,13H2,(H,25,26)
InChIKeyIPUYVKGJMIOEFZ-UHFFFAOYSA-N
MW421.43 g/mol
LogP3.95
Rot. Bonds5

About [3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone

[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone (PubChem CID 90641114) has the molecular formula C22H20FN5O3 and a molecular weight of 421.43 g/mol. Its IUPAC name is [3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
PubChem CID90641114
Molecular FormulaC22H20FN5O3
Molecular Weight421.43 g/mol
Exact Mass421.16
IUPAC Name[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
SMILESO=C(c1cc(-c2ccco2)[nH]n1)N1CCCC(Cc2nc(-c3ccccc3F)no2)C1
InChIInChI=1S/C22H20FN5O3/c23-16-7-2-1-6-15(16)21-24-20(31-27-21)11-14-5-3-9-28(13-14)22(29)18-12-17(25-26-18)19-8-4-10-30-19/h1-2,4,6-8,10,12,14H,3,5,9,11,13H2,(H,25,26)
InChIKeyIPUYVKGJMIOEFZ-UHFFFAOYSA-N
XLogP3.95
TPSA101.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.43
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
The IUPAC name of [3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone (CID 90641114) is [3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone.
What is the SMILES notation for [3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
The canonical SMILES for [3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone is O=C(c1cc(-c2ccco2)[nH]n1)N1CCCC(Cc2nc(-c3ccccc3F)no2)C1.
What is the InChIKey of [3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
The InChIKey is IPUYVKGJMIOEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O3/c23-16-7-2-1-6-15(16)21-24-20(31-27-21)11-14-5-3-9-28(13-14)22(29)18-12-17(25-26-18)19-8-4-10-30-19/h1-2,4,6-8,10,12,14H,3,5,9,11,13H2,(H,25,26).
What are the key properties of [3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone has a molecular weight of 421.43 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone is sourced from PubChem (CID 90641114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).