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

C14H13N3O4S2 — CID 90509245

IUPAC3-(furan-2-yl)-5-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]-1,2,4-oxadiazole
SMILESCc1ccc(S(=O)(=O)N2CC(c3nc(-c4ccco4)no3)C2)s1
InChIInChI=1S/C14H13N3O4S2/c1-9-4-5-12(22-9)23(18,19)17-7-10(8-17)14-15-13(16-21-14)11-3-2-6-20-11/h2-6,10H,7-8H2,1H3
InChIKeyJUJQKFNCUDDXCO-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.49
Rot. Bonds4

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

3-(furan-2-yl)-5-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]-1,2,4-oxadiazole (PubChem CID 90509245) has the molecular formula C14H13N3O4S2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-(furan-2-yl)-5-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(furan-2-yl)-5-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]-1,2,4-oxadiazole
PubChem CID90509245
Molecular FormulaC14H13N3O4S2
Molecular Weight351.41 g/mol
Exact Mass351.03
IUPAC Name3-(furan-2-yl)-5-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]-1,2,4-oxadiazole
SMILESCc1ccc(S(=O)(=O)N2CC(c3nc(-c4ccco4)no3)C2)s1
InChIInChI=1S/C14H13N3O4S2/c1-9-4-5-12(22-9)23(18,19)17-7-10(8-17)14-15-13(16-21-14)11-3-2-6-20-11/h2-6,10H,7-8H2,1H3
InChIKeyJUJQKFNCUDDXCO-UHFFFAOYSA-N
XLogP2.49
TPSA89.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(furan-2-yl)-5-[1-(2,4,6-trimethylphenyl)sulfonylazetidin-3-yl]-1,2,4-oxadiazole
CID 90509224
5-(1-ethylsulfonylazetidin-3-yl)-3-(furan-2-yl)-1,2,4-oxadiazole
CID 90509216
5-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]-3-(furan-2-yl)-1,2,4-oxadiazole
CID 90509220
[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-methylphenyl)methanone
CID 90508931
(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]azetidin-1-yl]-(4-methoxyphenyl)methanone
CID 90508937
[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-thiophen-3-ylmethanone
CID 71784488
N-ethyl-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide
CID 90509208
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)azetidine-1-carboxamide
CID 90509184
[3,5-bis(trifluoromethyl)phenyl]-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 71784468
3-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]-5-(furan-2-yl)-1,2,4-oxadiazole
CID 119102426
1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone
CID 90509054

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-5-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(furan-2-yl)-5-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]-1,2,4-oxadiazole (CID 90509245) is 3-(furan-2-yl)-5-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(furan-2-yl)-5-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(furan-2-yl)-5-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]-1,2,4-oxadiazole is Cc1ccc(S(=O)(=O)N2CC(c3nc(-c4ccco4)no3)C2)s1.
What is the InChIKey of 3-(furan-2-yl)-5-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is JUJQKFNCUDDXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4S2/c1-9-4-5-12(22-9)23(18,19)17-7-10(8-17)14-15-13(16-21-14)11-3-2-6-20-11/h2-6,10H,7-8H2,1H3.
What are the key properties of 3-(furan-2-yl)-5-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]-1,2,4-oxadiazole?
3-(furan-2-yl)-5-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 351.41 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-5-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 90509245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).