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

C22H20FN5O2S — CID 90642498

IUPAC[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
SMILESO=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCCC(Cc2nc(-c3ccsc3)no2)C1
InChIInChI=1S/C22H20FN5O2S/c23-17-5-3-15(4-6-17)18-11-19(26-25-18)22(29)28-8-1-2-14(12-28)10-20-24-21(27-30-20)16-7-9-31-13-16/h3-7,9,11,13-14H,1-2,8,10,12H2,(H,25,26)
InChIKeyBLXFAMICSXLRBN-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.42
Rot. Bonds5

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

[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone (PubChem CID 90642498) has the molecular formula C22H20FN5O2S and a molecular weight of 437.50 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
PubChem CID90642498
Molecular FormulaC22H20FN5O2S
Molecular Weight437.50 g/mol
Exact Mass437.13
IUPAC Name[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
SMILESO=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCCC(Cc2nc(-c3ccsc3)no2)C1
InChIInChI=1S/C22H20FN5O2S/c23-17-5-3-15(4-6-17)18-11-19(26-25-18)22(29)28-8-1-2-14(12-28)10-20-24-21(27-30-20)16-7-9-31-13-16/h3-7,9,11,13-14H,1-2,8,10,12H2,(H,25,26)
InChIKeyBLXFAMICSXLRBN-UHFFFAOYSA-N
XLogP4.42
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-phenyl-1H-pyrazol-5-yl)-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 90642502
2-(4-fluorophenyl)sulfanyl-1-[(3S)-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone
CID 99878978
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 90642503
[3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 90641830
(2-chloro-6-fluorophenyl)-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 90642575
1-adamantyl-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 90642539
(2-methoxyphenyl)-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 90642556
3-chloro-1-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]propan-1-one
CID 90642546
(5-methylpyrazin-2-yl)-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 90642723
3-cyclohexyl-1-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]propan-1-one
CID 90642538
[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 90642728
oxan-4-yl 3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxylate
CID 90642733

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone (CID 90642498) is [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone is O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCCC(Cc2nc(-c3ccsc3)no2)C1.
What is the InChIKey of [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is BLXFAMICSXLRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2S/c23-17-5-3-15(4-6-17)18-11-19(26-25-18)22(29)28-8-1-2-14(12-28)10-20-24-21(27-30-20)16-7-9-31-13-16/h3-7,9,11,13-14H,1-2,8,10,12H2,(H,25,26).
What are the key properties of [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 437.50 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 90642498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).