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

C16H21N3O4S — CID 95103486

IUPAC2-cyclobutyl-5-[5-[(3R)-3-methylpiperidin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole
SMILESC[C@@H]1CCCN(S(=O)(=O)c2cc(-c3nnc(C4CCC4)o3)co2)C1
InChIInChI=1S/C16H21N3O4S/c1-11-4-3-7-19(9-11)24(20,21)14-8-13(10-22-14)16-18-17-15(23-16)12-5-2-6-12/h8,10-12H,2-7,9H2,1H3/t11-/m1/s1
InChIKeyLJIMHXGIMWCDGN-LLVKDONJSA-N
MW351.43 g/mol
LogP3.02
Rot. Bonds4

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

2-cyclobutyl-5-[5-[(3R)-3-methylpiperidin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole (PubChem CID 95103486) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-cyclobutyl-5-[5-[(3R)-3-methylpiperidin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclobutyl-5-[5-[(3R)-3-methylpiperidin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole
PubChem CID95103486
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC Name2-cyclobutyl-5-[5-[(3R)-3-methylpiperidin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole
SMILESC[C@@H]1CCCN(S(=O)(=O)c2cc(-c3nnc(C4CCC4)o3)co2)C1
InChIInChI=1S/C16H21N3O4S/c1-11-4-3-7-19(9-11)24(20,21)14-8-13(10-22-14)16-18-17-15(23-16)12-5-2-6-12/h8,10-12H,2-7,9H2,1H3/t11-/m1/s1
InChIKeyLJIMHXGIMWCDGN-LLVKDONJSA-N
XLogP3.02
TPSA89.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-cyclobutyl-5-[5-[(3R)-3-methylpiperidin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole with MolForge

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Related Compounds

2-cyclopropyl-5-[5-[(3R)-3-methylpiperidin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole
CID 95103484
2-methyl-5-[5-(3-methylpiperidin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole
CID 53175769
2-cyclobutyl-5-[5-[(3S)-3-methylpiperidin-1-yl]sulfonylfuran-2-yl]-1,3,4-oxadiazole
CID 95103469
2-cyclopentyl-5-[5-[(2R)-2-methylpiperidin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole
CID 95103488
4-[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)furan-2-yl]sulfonylmorpholine
CID 53175868
2-cyclopentyl-5-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)furan-3-yl]-1,3,4-oxadiazole
CID 53175909
2-cyclopentyl-5-[5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole
CID 53175917
2-ethyl-5-[5-(4-methylpiperidin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole
CID 53175781
4-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-methyl-N-propylfuran-2-sulfonamide
CID 53175918
2-(4-fluorophenyl)-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,3,4-oxadiazole
CID 121069600
2-methyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole
CID 53175761
2-(1,3-benzodioxol-5-yl)-5-[(3S)-1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]-1,3,4-oxadiazole
CID 51696662

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-5-[5-[(3R)-3-methylpiperidin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-cyclobutyl-5-[5-[(3R)-3-methylpiperidin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole (CID 95103486) is 2-cyclobutyl-5-[5-[(3R)-3-methylpiperidin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclobutyl-5-[5-[(3R)-3-methylpiperidin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclobutyl-5-[5-[(3R)-3-methylpiperidin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole is C[C@@H]1CCCN(S(=O)(=O)c2cc(-c3nnc(C4CCC4)o3)co2)C1.
What is the InChIKey of 2-cyclobutyl-5-[5-[(3R)-3-methylpiperidin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole?
The InChIKey is LJIMHXGIMWCDGN-LLVKDONJSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-11-4-3-7-19(9-11)24(20,21)14-8-13(10-22-14)16-18-17-15(23-16)12-5-2-6-12/h8,10-12H,2-7,9H2,1H3/t11-/m1/s1.
What are the key properties of 2-cyclobutyl-5-[5-[(3R)-3-methylpiperidin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole?
2-cyclobutyl-5-[5-[(3R)-3-methylpiperidin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole has a molecular weight of 351.43 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-5-[5-[(3R)-3-methylpiperidin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 95103486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).