2-(1-cyclopropylsulfonylpiperidin-4-yl)-5-(furan-3-yl)-1,3,4-oxadiazole

C14H17N3O4S — CID 90543490

IUPAC2-(1-cyclopropylsulfonylpiperidin-4-yl)-5-(furan-3-yl)-1,3,4-oxadiazole
SMILESO=S(=O)(C1CC1)N1CCC(c2nnc(-c3ccoc3)o2)CC1
InChIInChI=1S/C14H17N3O4S/c18-22(19,12-1-2-12)17-6-3-10(4-7-17)13-15-16-14(21-13)11-5-8-20-9-11/h5,8-10,12H,1-4,6-7H2
InChIKeyTXBSPDFPPXARTH-UHFFFAOYSA-N
MW323.37 g/mol
LogP2.00
Rot. Bonds4

About 2-(1-cyclopropylsulfonylpiperidin-4-yl)-5-(furan-3-yl)-1,3,4-oxadiazole

2-(1-cyclopropylsulfonylpiperidin-4-yl)-5-(furan-3-yl)-1,3,4-oxadiazole (PubChem CID 90543490) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-(1-cyclopropylsulfonylpiperidin-4-yl)-5-(furan-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-cyclopropylsulfonylpiperidin-4-yl)-5-(furan-3-yl)-1,3,4-oxadiazole
PubChem CID90543490
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC Name2-(1-cyclopropylsulfonylpiperidin-4-yl)-5-(furan-3-yl)-1,3,4-oxadiazole
SMILESO=S(=O)(C1CC1)N1CCC(c2nnc(-c3ccoc3)o2)CC1
InChIInChI=1S/C14H17N3O4S/c18-22(19,12-1-2-12)17-6-3-10(4-7-17)13-15-16-14(21-13)11-5-8-20-9-11/h5,8-10,12H,1-4,6-7H2
InChIKeyTXBSPDFPPXARTH-UHFFFAOYSA-N
XLogP2.00
TPSA89.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylsulfonylpiperidin-4-yl)-5-(furan-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(1-cyclopropylsulfonylpiperidin-4-yl)-5-(furan-3-yl)-1,3,4-oxadiazole (CID 90543490) is 2-(1-cyclopropylsulfonylpiperidin-4-yl)-5-(furan-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-cyclopropylsulfonylpiperidin-4-yl)-5-(furan-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-cyclopropylsulfonylpiperidin-4-yl)-5-(furan-3-yl)-1,3,4-oxadiazole is O=S(=O)(C1CC1)N1CCC(c2nnc(-c3ccoc3)o2)CC1.
What is the InChIKey of 2-(1-cyclopropylsulfonylpiperidin-4-yl)-5-(furan-3-yl)-1,3,4-oxadiazole?
The InChIKey is TXBSPDFPPXARTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c18-22(19,12-1-2-12)17-6-3-10(4-7-17)13-15-16-14(21-13)11-5-8-20-9-11/h5,8-10,12H,1-4,6-7H2.
What are the key properties of 2-(1-cyclopropylsulfonylpiperidin-4-yl)-5-(furan-3-yl)-1,3,4-oxadiazole?
2-(1-cyclopropylsulfonylpiperidin-4-yl)-5-(furan-3-yl)-1,3,4-oxadiazole has a molecular weight of 323.37 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylsulfonylpiperidin-4-yl)-5-(furan-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 90543490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).