2-[1-(2-phenylethenylsulfonyl)piperidin-3-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole

C16H16F3N3O3S — CID 71960599

IUPAC2-[1-(2-phenylethenylsulfonyl)piperidin-3-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESO=S(=O)(C=Cc1ccccc1)N1CCCC(c2nnc(C(F)(F)F)o2)C1
InChIInChI=1S/C16H16F3N3O3S/c17-16(18,19)15-21-20-14(25-15)13-7-4-9-22(11-13)26(23,24)10-8-12-5-2-1-3-6-12/h1-3,5-6,8,10,13H,4,7,9,11H2
InChIKeySLBJACZDDZFWIK-UHFFFAOYSA-N
MW387.38 g/mol
LogP3.27
Rot. Bonds4

About 2-[1-(2-phenylethenylsulfonyl)piperidin-3-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole

2-[1-(2-phenylethenylsulfonyl)piperidin-3-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole (PubChem CID 71960599) has the molecular formula C16H16F3N3O3S and a molecular weight of 387.38 g/mol. Its IUPAC name is 2-[1-(2-phenylethenylsulfonyl)piperidin-3-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(2-phenylethenylsulfonyl)piperidin-3-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
PubChem CID71960599
Molecular FormulaC16H16F3N3O3S
Molecular Weight387.38 g/mol
Exact Mass387.09
IUPAC Name2-[1-(2-phenylethenylsulfonyl)piperidin-3-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESO=S(=O)(C=Cc1ccccc1)N1CCCC(c2nnc(C(F)(F)F)o2)C1
InChIInChI=1S/C16H16F3N3O3S/c17-16(18,19)15-21-20-14(25-15)13-7-4-9-22(11-13)26(23,24)10-8-12-5-2-1-3-6-12/h1-3,5-6,8,10,13H,4,7,9,11H2
InChIKeySLBJACZDDZFWIK-UHFFFAOYSA-N
XLogP3.27
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.38
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-3-yl]-1,3-benzoxazole
CID 46403394
2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 90542573
1-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-3-yl]azepane
CID 86900562
4-ethyl-2-methyl-5-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-3-yl]-1,2,4-triazol-3-one
CID 56714279
N-[4-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide
CID 71793689
1-[(E)-2-phenylethenyl]sulfonylpyrrolidine
CID 18624669
1-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
CID 71793037
(2,6-difluorophenyl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90540125
2-phenoxy-1-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
CID 71793046
2-[1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-3-yl]triazole
CID 121178824
(1-methylsulfonylpiperidin-4-yl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90540208
2-(3-methylphenoxy)-1-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
CID 90540157

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-phenylethenylsulfonyl)piperidin-3-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(2-phenylethenylsulfonyl)piperidin-3-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole (CID 71960599) is 2-[1-(2-phenylethenylsulfonyl)piperidin-3-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(2-phenylethenylsulfonyl)piperidin-3-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(2-phenylethenylsulfonyl)piperidin-3-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole is O=S(=O)(C=Cc1ccccc1)N1CCCC(c2nnc(C(F)(F)F)o2)C1.
What is the InChIKey of 2-[1-(2-phenylethenylsulfonyl)piperidin-3-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The InChIKey is SLBJACZDDZFWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O3S/c17-16(18,19)15-21-20-14(25-15)13-7-4-9-22(11-13)26(23,24)10-8-12-5-2-1-3-6-12/h1-3,5-6,8,10,13H,4,7,9,11H2.
What are the key properties of 2-[1-(2-phenylethenylsulfonyl)piperidin-3-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
2-[1-(2-phenylethenylsulfonyl)piperidin-3-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole has a molecular weight of 387.38 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-phenylethenylsulfonyl)piperidin-3-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 71960599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).