2-(furan-3-yl)-5-[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]-1,3,4-oxadiazole

C18H19N3O5S — CID 90543488

IUPAC2-(furan-3-yl)-5-[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]-1,3,4-oxadiazole
SMILESCOc1ccccc1S(=O)(=O)N1CCC(c2nnc(-c3ccoc3)o2)CC1
InChIInChI=1S/C18H19N3O5S/c1-24-15-4-2-3-5-16(15)27(22,23)21-9-6-13(7-10-21)17-19-20-18(26-17)14-8-11-25-12-14/h2-5,8,11-13H,6-7,9-10H2,1H3
InChIKeyMMMUYZUFQBVJBL-UHFFFAOYSA-N
MW389.43 g/mol
LogP2.91
Rot. Bonds5

About 2-(furan-3-yl)-5-[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]-1,3,4-oxadiazole

2-(furan-3-yl)-5-[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]-1,3,4-oxadiazole (PubChem CID 90543488) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is 2-(furan-3-yl)-5-[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(furan-3-yl)-5-[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]-1,3,4-oxadiazole
PubChem CID90543488
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC Name2-(furan-3-yl)-5-[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]-1,3,4-oxadiazole
SMILESCOc1ccccc1S(=O)(=O)N1CCC(c2nnc(-c3ccoc3)o2)CC1
InChIInChI=1S/C18H19N3O5S/c1-24-15-4-2-3-5-16(15)27(22,23)21-9-6-13(7-10-21)17-19-20-18(26-17)14-8-11-25-12-14/h2-5,8,11-13H,6-7,9-10H2,1H3
InChIKeyMMMUYZUFQBVJBL-UHFFFAOYSA-N
XLogP2.91
TPSA98.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-5-(furan-3-yl)-1,3,4-oxadiazole
CID 90543462
4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylpiperidine-1-sulfonamide
CID 90543461
2-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]-5-(furan-3-yl)-1,3,4-oxadiazole
CID 90543491
2-(1-cyclopropylsulfonylpiperidin-4-yl)-5-(furan-3-yl)-1,3,4-oxadiazole
CID 90543490
2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-5-(furan-3-yl)-1,3,4-oxadiazole
CID 90543458
2-[1-(4-cyclohexylphenyl)sulfonylpiperidin-4-yl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole
CID 20867361
[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 90543078
2-[(3R)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-3-yl]-5-thiophen-3-yl-1,3,4-oxadiazole
CID 97427041
5-[(3S)-1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 129346859
4-(2-methoxyphenyl)sulfonyl-7-phenyl-1,4-thiazepane 1,1-dioxide
CID 121192158
2-(4-methoxyphenyl)-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-1,3,4-oxadiazole
CID 126456821
2-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 132675744

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-5-[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(furan-3-yl)-5-[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]-1,3,4-oxadiazole (CID 90543488) is 2-(furan-3-yl)-5-[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(furan-3-yl)-5-[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(furan-3-yl)-5-[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]-1,3,4-oxadiazole is COc1ccccc1S(=O)(=O)N1CCC(c2nnc(-c3ccoc3)o2)CC1.
What is the InChIKey of 2-(furan-3-yl)-5-[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]-1,3,4-oxadiazole?
The InChIKey is MMMUYZUFQBVJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S/c1-24-15-4-2-3-5-16(15)27(22,23)21-9-6-13(7-10-21)17-19-20-18(26-17)14-8-11-25-12-14/h2-5,8,11-13H,6-7,9-10H2,1H3.
What are the key properties of 2-(furan-3-yl)-5-[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]-1,3,4-oxadiazole?
2-(furan-3-yl)-5-[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]-1,3,4-oxadiazole has a molecular weight of 389.43 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-5-[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 90543488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).