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

C22H20FN5O2S — CID 56766044

IUPAC[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone
SMILESCn1nc(-c2cccs2)cc1C(=O)N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1
InChIInChI=1S/C22H20FN5O2S/c1-27-18(13-17(26-27)19-3-2-12-31-19)22(29)28-10-8-15(9-11-28)21-25-24-20(30-21)14-4-6-16(23)7-5-14/h2-7,12-13,15H,8-11H2,1H3
InChIKeyYPZLSXHAENURDY-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.36
Rot. Bonds4

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

[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone (PubChem CID 56766044) has the molecular formula C22H20FN5O2S and a molecular weight of 437.50 g/mol. Its IUPAC name is [4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone
PubChem CID56766044
Molecular FormulaC22H20FN5O2S
Molecular Weight437.50 g/mol
Exact Mass437.13
IUPAC Name[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone
SMILESCn1nc(-c2cccs2)cc1C(=O)N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1
InChIInChI=1S/C22H20FN5O2S/c1-27-18(13-17(26-27)19-3-2-12-31-19)22(29)28-10-8-15(9-11-28)21-25-24-20(30-21)14-4-6-16(23)7-5-14/h2-7,12-13,15H,8-11H2,1H3
InChIKeyYPZLSXHAENURDY-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 [4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone?
The IUPAC name of [4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone (CID 56766044) is [4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone.
What is the SMILES notation for [4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone?
The canonical SMILES for [4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone is Cn1nc(-c2cccs2)cc1C(=O)N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1.
What is the InChIKey of [4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone?
The InChIKey is YPZLSXHAENURDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2S/c1-27-18(13-17(26-27)19-3-2-12-31-19)22(29)28-10-8-15(9-11-28)21-25-24-20(30-21)14-4-6-16(23)7-5-14/h2-7,12-13,15H,8-11H2,1H3.
What are the key properties of [4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone?
[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-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 [4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone is sourced from PubChem (CID 56766044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).