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

C15H12FN3O4S — CID 90509220

IUPAC5-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]-3-(furan-2-yl)-1,2,4-oxadiazole
SMILESO=S(=O)(c1ccc(F)cc1)N1CC(c2nc(-c3ccco3)no2)C1
InChIInChI=1S/C15H12FN3O4S/c16-11-3-5-12(6-4-11)24(20,21)19-8-10(9-19)15-17-14(18-23-15)13-2-1-7-22-13/h1-7,10H,8-9H2
InChIKeyNJTNGLYNRYEQLD-UHFFFAOYSA-N
MW349.34 g/mol
LogP2.26
Rot. Bonds4

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

5-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]-3-(furan-2-yl)-1,2,4-oxadiazole (PubChem CID 90509220) has the molecular formula C15H12FN3O4S and a molecular weight of 349.34 g/mol. Its IUPAC name is 5-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]-3-(furan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]-3-(furan-2-yl)-1,2,4-oxadiazole
PubChem CID90509220
Molecular FormulaC15H12FN3O4S
Molecular Weight349.34 g/mol
Exact Mass349.05
IUPAC Name5-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]-3-(furan-2-yl)-1,2,4-oxadiazole
SMILESO=S(=O)(c1ccc(F)cc1)N1CC(c2nc(-c3ccco3)no2)C1
InChIInChI=1S/C15H12FN3O4S/c16-11-3-5-12(6-4-11)24(20,21)19-8-10(9-19)15-17-14(18-23-15)13-2-1-7-22-13/h1-7,10H,8-9H2
InChIKeyNJTNGLYNRYEQLD-UHFFFAOYSA-N
XLogP2.26
TPSA89.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 52.26
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-(2,4,6-trimethylphenyl)sulfonylazetidin-3-yl]-1,2,4-oxadiazole
CID 90509224
3-(furan-2-yl)-5-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]-1,2,4-oxadiazole
CID 90509245
5-[1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-3-yl]-3-phenyl-1,2,4-oxadiazole
CID 156601925
5-[1-(benzenesulfonyl)piperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 3225890
5-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 4024478
3-(3-methylphenyl)-5-[1-(4-methylphenyl)sulfonylazetidin-3-yl]-1,2,4-oxadiazole
CID 71451181
3-(4-fluorophenyl)-5-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 1453941
1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone
CID 90509054
N-ethyl-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide
CID 90509208
3-[3-(trifluoromethyl)phenyl]-5-[1-[4-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]-1,2,4-oxadiazole
CID 121095970
[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 5-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]-3-(furan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]-3-(furan-2-yl)-1,2,4-oxadiazole (CID 90509220) is 5-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]-3-(furan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]-3-(furan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]-3-(furan-2-yl)-1,2,4-oxadiazole is O=S(=O)(c1ccc(F)cc1)N1CC(c2nc(-c3ccco3)no2)C1.
What is the InChIKey of 5-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]-3-(furan-2-yl)-1,2,4-oxadiazole?
The InChIKey is NJTNGLYNRYEQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O4S/c16-11-3-5-12(6-4-11)24(20,21)19-8-10(9-19)15-17-14(18-23-15)13-2-1-7-22-13/h1-7,10H,8-9H2.
What are the key properties of 5-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]-3-(furan-2-yl)-1,2,4-oxadiazole?
5-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]-3-(furan-2-yl)-1,2,4-oxadiazole has a molecular weight of 349.34 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]-3-(furan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 90509220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).