5-cyclopropyl-3-[[1-[(2-fluorophenyl)methylsulfonyl]piperidin-3-yl]methyl]-1,2,4-oxadiazole

C18H22FN3O3S — CID 91918639

IUPAC5-cyclopropyl-3-[[1-[(2-fluorophenyl)methylsulfonyl]piperidin-3-yl]methyl]-1,2,4-oxadiazole
SMILESO=S(=O)(Cc1ccccc1F)N1CCCC(Cc2noc(C3CC3)n2)C1
InChIInChI=1S/C18H22FN3O3S/c19-16-6-2-1-5-15(16)12-26(23,24)22-9-3-4-13(11-22)10-17-20-18(25-21-17)14-7-8-14/h1-2,5-6,13-14H,3-4,7-12H2
InChIKeyWHXCLUWTKPJDOE-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.87
Rot. Bonds6

About 5-cyclopropyl-3-[[1-[(2-fluorophenyl)methylsulfonyl]piperidin-3-yl]methyl]-1,2,4-oxadiazole

5-cyclopropyl-3-[[1-[(2-fluorophenyl)methylsulfonyl]piperidin-3-yl]methyl]-1,2,4-oxadiazole (PubChem CID 91918639) has the molecular formula C18H22FN3O3S and a molecular weight of 379.46 g/mol. Its IUPAC name is 5-cyclopropyl-3-[[1-[(2-fluorophenyl)methylsulfonyl]piperidin-3-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopropyl-3-[[1-[(2-fluorophenyl)methylsulfonyl]piperidin-3-yl]methyl]-1,2,4-oxadiazole
PubChem CID91918639
Molecular FormulaC18H22FN3O3S
Molecular Weight379.46 g/mol
Exact Mass379.14
IUPAC Name5-cyclopropyl-3-[[1-[(2-fluorophenyl)methylsulfonyl]piperidin-3-yl]methyl]-1,2,4-oxadiazole
SMILESO=S(=O)(Cc1ccccc1F)N1CCCC(Cc2noc(C3CC3)n2)C1
InChIInChI=1S/C18H22FN3O3S/c19-16-6-2-1-5-15(16)12-26(23,24)22-9-3-4-13(11-22)10-17-20-18(25-21-17)14-7-8-14/h1-2,5-6,13-14H,3-4,7-12H2
InChIKeyWHXCLUWTKPJDOE-UHFFFAOYSA-N
XLogP2.87
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[[1-[(2-fluorophenyl)methylsulfonyl]piperidin-3-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopropyl-3-[[1-[(2-fluorophenyl)methylsulfonyl]piperidin-3-yl]methyl]-1,2,4-oxadiazole (CID 91918639) is 5-cyclopropyl-3-[[1-[(2-fluorophenyl)methylsulfonyl]piperidin-3-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopropyl-3-[[1-[(2-fluorophenyl)methylsulfonyl]piperidin-3-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopropyl-3-[[1-[(2-fluorophenyl)methylsulfonyl]piperidin-3-yl]methyl]-1,2,4-oxadiazole is O=S(=O)(Cc1ccccc1F)N1CCCC(Cc2noc(C3CC3)n2)C1.
What is the InChIKey of 5-cyclopropyl-3-[[1-[(2-fluorophenyl)methylsulfonyl]piperidin-3-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is WHXCLUWTKPJDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3S/c19-16-6-2-1-5-15(16)12-26(23,24)22-9-3-4-13(11-22)10-17-20-18(25-21-17)14-7-8-14/h1-2,5-6,13-14H,3-4,7-12H2.
What are the key properties of 5-cyclopropyl-3-[[1-[(2-fluorophenyl)methylsulfonyl]piperidin-3-yl]methyl]-1,2,4-oxadiazole?
5-cyclopropyl-3-[[1-[(2-fluorophenyl)methylsulfonyl]piperidin-3-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 379.46 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[[1-[(2-fluorophenyl)methylsulfonyl]piperidin-3-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 91918639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).