2-[5-(4-methylpiperidin-1-yl)sulfonylfuran-3-yl]-5-propan-2-yl-1,3,4-oxadiazole

C15H21N3O4S — CID 53175813

IUPAC2-[5-(4-methylpiperidin-1-yl)sulfonylfuran-3-yl]-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC1CCN(S(=O)(=O)c2cc(-c3nnc(C(C)C)o3)co2)CC1
InChIInChI=1S/C15H21N3O4S/c1-10(2)14-16-17-15(22-14)12-8-13(21-9-12)23(19,20)18-6-4-11(3)5-7-18/h8-11H,4-7H2,1-3H3
InChIKeyQKMRGYUQVZJVIH-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.87
Rot. Bonds4

About 2-[5-(4-methylpiperidin-1-yl)sulfonylfuran-3-yl]-5-propan-2-yl-1,3,4-oxadiazole

2-[5-(4-methylpiperidin-1-yl)sulfonylfuran-3-yl]-5-propan-2-yl-1,3,4-oxadiazole (PubChem CID 53175813) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-[5-(4-methylpiperidin-1-yl)sulfonylfuran-3-yl]-5-propan-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[5-(4-methylpiperidin-1-yl)sulfonylfuran-3-yl]-5-propan-2-yl-1,3,4-oxadiazole
PubChem CID53175813
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC Name2-[5-(4-methylpiperidin-1-yl)sulfonylfuran-3-yl]-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC1CCN(S(=O)(=O)c2cc(-c3nnc(C(C)C)o3)co2)CC1
InChIInChI=1S/C15H21N3O4S/c1-10(2)14-16-17-15(22-14)12-8-13(21-9-12)23(19,20)18-6-4-11(3)5-7-18/h8-11H,4-7H2,1-3H3
InChIKeyQKMRGYUQVZJVIH-UHFFFAOYSA-N
XLogP2.87
TPSA89.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylpiperidin-1-yl)sulfonylfuran-3-yl]-5-propan-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[5-(4-methylpiperidin-1-yl)sulfonylfuran-3-yl]-5-propan-2-yl-1,3,4-oxadiazole (CID 53175813) is 2-[5-(4-methylpiperidin-1-yl)sulfonylfuran-3-yl]-5-propan-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[5-(4-methylpiperidin-1-yl)sulfonylfuran-3-yl]-5-propan-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[5-(4-methylpiperidin-1-yl)sulfonylfuran-3-yl]-5-propan-2-yl-1,3,4-oxadiazole is CC1CCN(S(=O)(=O)c2cc(-c3nnc(C(C)C)o3)co2)CC1.
What is the InChIKey of 2-[5-(4-methylpiperidin-1-yl)sulfonylfuran-3-yl]-5-propan-2-yl-1,3,4-oxadiazole?
The InChIKey is QKMRGYUQVZJVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-10(2)14-16-17-15(22-14)12-8-13(21-9-12)23(19,20)18-6-4-11(3)5-7-18/h8-11H,4-7H2,1-3H3.
What are the key properties of 2-[5-(4-methylpiperidin-1-yl)sulfonylfuran-3-yl]-5-propan-2-yl-1,3,4-oxadiazole?
2-[5-(4-methylpiperidin-1-yl)sulfonylfuran-3-yl]-5-propan-2-yl-1,3,4-oxadiazole has a molecular weight of 339.42 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylpiperidin-1-yl)sulfonylfuran-3-yl]-5-propan-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 53175813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).