2-[1-(benzenesulfonyl)piperidin-4-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole

C19H18FN3O3S — CID 4289033

IUPAC2-[1-(benzenesulfonyl)piperidin-4-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
SMILESO=S(=O)(c1ccccc1)N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1
InChIInChI=1S/C19H18FN3O3S/c20-16-8-6-14(7-9-16)18-21-22-19(26-18)15-10-12-23(13-11-15)27(24,25)17-4-2-1-3-5-17/h1-9,15H,10-13H2
InChIKeyBFERFHQNVXRZED-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.44
Rot. Bonds4

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

2-[1-(benzenesulfonyl)piperidin-4-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole (PubChem CID 4289033) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-[1-(benzenesulfonyl)piperidin-4-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(benzenesulfonyl)piperidin-4-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
PubChem CID4289033
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC Name2-[1-(benzenesulfonyl)piperidin-4-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
SMILESO=S(=O)(c1ccccc1)N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1
InChIInChI=1S/C19H18FN3O3S/c20-16-8-6-14(7-9-16)18-21-22-19(26-18)15-10-12-23(13-11-15)27(24,25)17-4-2-1-3-5-17/h1-9,15H,10-13H2
InChIKeyBFERFHQNVXRZED-UHFFFAOYSA-N
XLogP3.44
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzenesulfonyl)piperidin-4-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(benzenesulfonyl)piperidin-4-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole (CID 4289033) is 2-[1-(benzenesulfonyl)piperidin-4-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(benzenesulfonyl)piperidin-4-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(benzenesulfonyl)piperidin-4-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole is O=S(=O)(c1ccccc1)N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1.
What is the InChIKey of 2-[1-(benzenesulfonyl)piperidin-4-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole?
The InChIKey is BFERFHQNVXRZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c20-16-8-6-14(7-9-16)18-21-22-19(26-18)15-10-12-23(13-11-15)27(24,25)17-4-2-1-3-5-17/h1-9,15H,10-13H2.
What are the key properties of 2-[1-(benzenesulfonyl)piperidin-4-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole?
2-[1-(benzenesulfonyl)piperidin-4-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole has a molecular weight of 387.44 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzenesulfonyl)piperidin-4-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 4289033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).