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

C13H17N3O4S — CID 53175769

IUPAC2-methyl-5-[5-(3-methylpiperidin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole
SMILESCc1nnc(-c2coc(S(=O)(=O)N3CCCC(C)C3)c2)o1
InChIInChI=1S/C13H17N3O4S/c1-9-4-3-5-16(7-9)21(17,18)12-6-11(8-19-12)13-15-14-10(2)20-13/h6,8-9H,3-5,7H2,1-2H3
InChIKeyZQYBRMBQSRVGCY-UHFFFAOYSA-N
MW311.36 g/mol
LogP2.06
Rot. Bonds3

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

2-methyl-5-[5-(3-methylpiperidin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole (PubChem CID 53175769) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is 2-methyl-5-[5-(3-methylpiperidin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[5-(3-methylpiperidin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole
PubChem CID53175769
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC Name2-methyl-5-[5-(3-methylpiperidin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole
SMILESCc1nnc(-c2coc(S(=O)(=O)N3CCCC(C)C3)c2)o1
InChIInChI=1S/C13H17N3O4S/c1-9-4-3-5-16(7-9)21(17,18)12-6-11(8-19-12)13-15-14-10(2)20-13/h6,8-9H,3-5,7H2,1-2H3
InChIKeyZQYBRMBQSRVGCY-UHFFFAOYSA-N
XLogP2.06
TPSA89.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-cyclobutyl-5-[5-[(3R)-3-methylpiperidin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole
CID 95103486
2-methyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole
CID 53175761
2-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)furan-3-yl]-5-methyl-1,3,4-oxadiazole
CID 53175745
2-ethyl-5-[5-(4-methylpiperidin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole
CID 53175781
2-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylfuran-3-yl]-5-methyl-1,3,4-oxadiazole
CID 53175752
2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylfuran-3-yl]-5-methyl-1,3,4-oxadiazole
CID 53175750
4-[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)furan-2-yl]sulfonylmorpholine
CID 53175868
2-cyclopentyl-5-[5-[(2R)-2-methylpiperidin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole
CID 95103488
2-cyclobutyl-5-[5-[(3S)-3-methylpiperidin-1-yl]sulfonylfuran-2-yl]-1,3,4-oxadiazole
CID 95103469
2-cyclopentyl-5-[5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole
CID 53175917
5-(3-methylpiperidin-1-yl)sulfonylfuran-2-carboxylic acid
CID 43149837

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[5-(3-methylpiperidin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[5-(3-methylpiperidin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole (CID 53175769) is 2-methyl-5-[5-(3-methylpiperidin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[5-(3-methylpiperidin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[5-(3-methylpiperidin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole is Cc1nnc(-c2coc(S(=O)(=O)N3CCCC(C)C3)c2)o1.
What is the InChIKey of 2-methyl-5-[5-(3-methylpiperidin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole?
The InChIKey is ZQYBRMBQSRVGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-9-4-3-5-16(7-9)21(17,18)12-6-11(8-19-12)13-15-14-10(2)20-13/h6,8-9H,3-5,7H2,1-2H3.
What are the key properties of 2-methyl-5-[5-(3-methylpiperidin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole?
2-methyl-5-[5-(3-methylpiperidin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole has a molecular weight of 311.36 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[5-(3-methylpiperidin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 53175769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).