3-(furan-2-yl)-5-[1-(2,4,6-trimethylphenyl)sulfonylazetidin-3-yl]-1,2,4-oxadiazole

C18H19N3O4S — CID 90509224

IUPAC3-(furan-2-yl)-5-[1-(2,4,6-trimethylphenyl)sulfonylazetidin-3-yl]-1,2,4-oxadiazole
SMILESCc1cc(C)c(S(=O)(=O)N2CC(c3nc(-c4ccco4)no3)C2)c(C)c1
InChIInChI=1S/C18H19N3O4S/c1-11-7-12(2)16(13(3)8-11)26(22,23)21-9-14(10-21)18-19-17(20-25-18)15-5-4-6-24-15/h4-8,14H,9-10H2,1-3H3
InChIKeyCPEZGBYBXBMAGT-UHFFFAOYSA-N
MW373.43 g/mol
LogP3.04
Rot. Bonds4

About 3-(furan-2-yl)-5-[1-(2,4,6-trimethylphenyl)sulfonylazetidin-3-yl]-1,2,4-oxadiazole

3-(furan-2-yl)-5-[1-(2,4,6-trimethylphenyl)sulfonylazetidin-3-yl]-1,2,4-oxadiazole (PubChem CID 90509224) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is 3-(furan-2-yl)-5-[1-(2,4,6-trimethylphenyl)sulfonylazetidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(furan-2-yl)-5-[1-(2,4,6-trimethylphenyl)sulfonylazetidin-3-yl]-1,2,4-oxadiazole
PubChem CID90509224
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name3-(furan-2-yl)-5-[1-(2,4,6-trimethylphenyl)sulfonylazetidin-3-yl]-1,2,4-oxadiazole
SMILESCc1cc(C)c(S(=O)(=O)N2CC(c3nc(-c4ccco4)no3)C2)c(C)c1
InChIInChI=1S/C18H19N3O4S/c1-11-7-12(2)16(13(3)8-11)26(22,23)21-9-14(10-21)18-19-17(20-25-18)15-5-4-6-24-15/h4-8,14H,9-10H2,1-3H3
InChIKeyCPEZGBYBXBMAGT-UHFFFAOYSA-N
XLogP3.04
TPSA89.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1-ethylsulfonylazetidin-3-yl)-3-(furan-2-yl)-1,2,4-oxadiazole
CID 90509216
3-(furan-2-yl)-5-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]-1,2,4-oxadiazole
CID 90509245
5-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]-3-(furan-2-yl)-1,2,4-oxadiazole
CID 90509220
(3,5-dimethylphenyl)-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 90508932
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)azetidine-1-carboxamide
CID 90509184
[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-methylphenyl)methanone
CID 90508931
3-(furan-2-yl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine
CID 110603860
N-ethyl-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide
CID 90509208
3-(3-methylphenyl)-5-[1-(4-methylphenyl)sulfonylazetidin-3-yl]-1,2,4-oxadiazole
CID 71451181
[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-methoxyphenyl)methanone
CID 90508937
2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-(2-methylphenyl)acetamide
CID 71784501
[3,5-bis(trifluoromethyl)phenyl]-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 71784468

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-5-[1-(2,4,6-trimethylphenyl)sulfonylazetidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(furan-2-yl)-5-[1-(2,4,6-trimethylphenyl)sulfonylazetidin-3-yl]-1,2,4-oxadiazole (CID 90509224) is 3-(furan-2-yl)-5-[1-(2,4,6-trimethylphenyl)sulfonylazetidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(furan-2-yl)-5-[1-(2,4,6-trimethylphenyl)sulfonylazetidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(furan-2-yl)-5-[1-(2,4,6-trimethylphenyl)sulfonylazetidin-3-yl]-1,2,4-oxadiazole is Cc1cc(C)c(S(=O)(=O)N2CC(c3nc(-c4ccco4)no3)C2)c(C)c1.
What is the InChIKey of 3-(furan-2-yl)-5-[1-(2,4,6-trimethylphenyl)sulfonylazetidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is CPEZGBYBXBMAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-11-7-12(2)16(13(3)8-11)26(22,23)21-9-14(10-21)18-19-17(20-25-18)15-5-4-6-24-15/h4-8,14H,9-10H2,1-3H3.
What are the key properties of 3-(furan-2-yl)-5-[1-(2,4,6-trimethylphenyl)sulfonylazetidin-3-yl]-1,2,4-oxadiazole?
3-(furan-2-yl)-5-[1-(2,4,6-trimethylphenyl)sulfonylazetidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 373.43 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-5-[1-(2,4,6-trimethylphenyl)sulfonylazetidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 90509224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).