2-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-benzoxazole

C18H17FN2O3S — CID 1430697

IUPAC2-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-benzoxazole
SMILESO=S(=O)(c1ccccc1F)N1CCC(c2nc3ccccc3o2)CC1
InChIInChI=1S/C18H17FN2O3S/c19-14-5-1-4-8-17(14)25(22,23)21-11-9-13(10-12-21)18-20-15-6-2-3-7-16(15)24-18/h1-8,13H,9-12H2
InChIKeyJGPZZXBPSLTXRJ-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.54
Rot. Bonds3

About 2-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-benzoxazole

2-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-benzoxazole (PubChem CID 1430697) has the molecular formula C18H17FN2O3S and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-benzoxazole
PubChem CID1430697
Molecular FormulaC18H17FN2O3S
Molecular Weight360.41 g/mol
Exact Mass360.09
IUPAC Name2-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-benzoxazole
SMILESO=S(=O)(c1ccccc1F)N1CCC(c2nc3ccccc3o2)CC1
InChIInChI=1S/C18H17FN2O3S/c19-14-5-1-4-8-17(14)25(22,23)21-11-9-13(10-12-21)18-20-15-6-2-3-7-16(15)24-18/h1-8,13H,9-12H2
InChIKeyJGPZZXBPSLTXRJ-UHFFFAOYSA-N
XLogP3.54
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-benzoxazole?
The IUPAC name of 2-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-benzoxazole (CID 1430697) is 2-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-benzoxazole is O=S(=O)(c1ccccc1F)N1CCC(c2nc3ccccc3o2)CC1.
What is the InChIKey of 2-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-benzoxazole?
The InChIKey is JGPZZXBPSLTXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3S/c19-14-5-1-4-8-17(14)25(22,23)21-11-9-13(10-12-21)18-20-15-6-2-3-7-16(15)24-18/h1-8,13H,9-12H2.
What are the key properties of 2-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-benzoxazole?
2-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-benzoxazole has a molecular weight of 360.41 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-benzoxazole is sourced from PubChem (CID 1430697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).