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

C22H20FN5O2S — CID 121068904

IUPAC[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCCC(c2nnc(-c3cccs3)o2)C1
InChIInChI=1S/C22H20FN5O2S/c1-27-18(12-17(26-27)14-6-8-16(23)9-7-14)22(29)28-10-2-4-15(13-28)20-24-25-21(30-20)19-5-3-11-31-19/h3,5-9,11-12,15H,2,4,10,13H2,1H3
InChIKeyXYHHYOZWTCRSLQ-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.36
Rot. Bonds4

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

[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 121068904) has the molecular formula C22H20FN5O2S and a molecular weight of 437.50 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
PubChem CID121068904
Molecular FormulaC22H20FN5O2S
Molecular Weight437.50 g/mol
Exact Mass437.13
IUPAC Name[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCCC(c2nnc(-c3cccs3)o2)C1
InChIInChI=1S/C22H20FN5O2S/c1-27-18(12-17(26-27)14-6-8-16(23)9-7-14)22(29)28-10-2-4-15(13-28)20-24-25-21(30-20)19-5-3-11-31-19/h3,5-9,11-12,15H,2,4,10,13H2,1H3
InChIKeyXYHHYOZWTCRSLQ-UHFFFAOYSA-N
XLogP4.36
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone (CID 121068904) is [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone is Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCCC(c2nnc(-c3cccs3)o2)C1.
What is the InChIKey of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is XYHHYOZWTCRSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2S/c1-27-18(12-17(26-27)14-6-8-16(23)9-7-14)22(29)28-10-2-4-15(13-28)20-24-25-21(30-20)19-5-3-11-31-19/h3,5-9,11-12,15H,2,4,10,13H2,1H3.
What are the key properties of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 437.50 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 121068904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).