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

C17H23N3O4S — CID 95103488

IUPAC2-cyclopentyl-5-[5-[(2R)-2-methylpiperidin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole
SMILESC[C@@H]1CCCCN1S(=O)(=O)c1cc(-c2nnc(C3CCCC3)o2)co1
InChIInChI=1S/C17H23N3O4S/c1-12-6-4-5-9-20(12)25(21,22)15-10-14(11-23-15)17-19-18-16(24-17)13-7-2-3-8-13/h10-13H,2-9H2,1H3/t12-/m1/s1
InChIKeyVKKUVILTPRAEJC-GFCCVEGCSA-N
MW365.46 g/mol
LogP3.55
Rot. Bonds4

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

2-cyclopentyl-5-[5-[(2R)-2-methylpiperidin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole (PubChem CID 95103488) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-cyclopentyl-5-[5-[(2R)-2-methylpiperidin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclopentyl-5-[5-[(2R)-2-methylpiperidin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole
PubChem CID95103488
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC Name2-cyclopentyl-5-[5-[(2R)-2-methylpiperidin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole
SMILESC[C@@H]1CCCCN1S(=O)(=O)c1cc(-c2nnc(C3CCCC3)o2)co1
InChIInChI=1S/C17H23N3O4S/c1-12-6-4-5-9-20(12)25(21,22)15-10-14(11-23-15)17-19-18-16(24-17)13-7-2-3-8-13/h10-13H,2-9H2,1H3/t12-/m1/s1
InChIKeyVKKUVILTPRAEJC-GFCCVEGCSA-N
XLogP3.55
TPSA89.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-[5-[(2R)-2-methylpiperidin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-cyclopentyl-5-[5-[(2R)-2-methylpiperidin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole (CID 95103488) is 2-cyclopentyl-5-[5-[(2R)-2-methylpiperidin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclopentyl-5-[5-[(2R)-2-methylpiperidin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclopentyl-5-[5-[(2R)-2-methylpiperidin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole is C[C@@H]1CCCCN1S(=O)(=O)c1cc(-c2nnc(C3CCCC3)o2)co1.
What is the InChIKey of 2-cyclopentyl-5-[5-[(2R)-2-methylpiperidin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole?
The InChIKey is VKKUVILTPRAEJC-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-12-6-4-5-9-20(12)25(21,22)15-10-14(11-23-15)17-19-18-16(24-17)13-7-2-3-8-13/h10-13H,2-9H2,1H3/t12-/m1/s1.
What are the key properties of 2-cyclopentyl-5-[5-[(2R)-2-methylpiperidin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole?
2-cyclopentyl-5-[5-[(2R)-2-methylpiperidin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole has a molecular weight of 365.46 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-[5-[(2R)-2-methylpiperidin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 95103488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).