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

C15H12FN3O3S2 — CID 121097382

IUPAC5-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-3-thiophen-3-yl-1,2,4-oxadiazole
SMILESO=S(=O)(c1ccccc1F)N1CC(c2nc(-c3ccsc3)no2)C1
InChIInChI=1S/C15H12FN3O3S2/c16-12-3-1-2-4-13(12)24(20,21)19-7-11(8-19)15-17-14(18-22-15)10-5-6-23-9-10/h1-6,9,11H,7-8H2
InChIKeyOQKQRBUTBIAHCR-UHFFFAOYSA-N
MW365.41 g/mol
LogP2.73
Rot. Bonds4

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

5-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-3-thiophen-3-yl-1,2,4-oxadiazole (PubChem CID 121097382) has the molecular formula C15H12FN3O3S2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 5-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-3-thiophen-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-3-thiophen-3-yl-1,2,4-oxadiazole
PubChem CID121097382
Molecular FormulaC15H12FN3O3S2
Molecular Weight365.41 g/mol
Exact Mass365.03
IUPAC Name5-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-3-thiophen-3-yl-1,2,4-oxadiazole
SMILESO=S(=O)(c1ccccc1F)N1CC(c2nc(-c3ccsc3)no2)C1
InChIInChI=1S/C15H12FN3O3S2/c16-12-3-1-2-4-13(12)24(20,21)19-7-11(8-19)15-17-14(18-22-15)10-5-6-23-9-10/h1-6,9,11H,7-8H2
InChIKeyOQKQRBUTBIAHCR-UHFFFAOYSA-N
XLogP2.73
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1-cyclopropylsulfonylazetidin-3-yl)-3-thiophen-3-yl-1,2,4-oxadiazole
CID 121097392
5-[1-(3,4-dimethylphenyl)sulfonylazetidin-3-yl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 121097366
methyl 3-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]sulfonylthiophene-2-carboxylate
CID 121097408
N-(2,6-difluorophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
CID 121097325
(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate
CID 27382976
2-[2-oxo-2-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethyl]isoindole-1,3-dione
CID 121097155
2-benzylsulfanyl-1-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone
CID 121097107
(3-chlorophenyl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 121097062
5-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 155942953
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone
CID 121097186
N-(thiophen-2-ylmethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
CID 121097329
2,2-dimethyl-1-[(3R)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 99021860

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-3-thiophen-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-3-thiophen-3-yl-1,2,4-oxadiazole (CID 121097382) is 5-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-3-thiophen-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-3-thiophen-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-3-thiophen-3-yl-1,2,4-oxadiazole is O=S(=O)(c1ccccc1F)N1CC(c2nc(-c3ccsc3)no2)C1.
What is the InChIKey of 5-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-3-thiophen-3-yl-1,2,4-oxadiazole?
The InChIKey is OQKQRBUTBIAHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O3S2/c16-12-3-1-2-4-13(12)24(20,21)19-7-11(8-19)15-17-14(18-22-15)10-5-6-23-9-10/h1-6,9,11H,7-8H2.
What are the key properties of 5-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-3-thiophen-3-yl-1,2,4-oxadiazole?
5-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-3-thiophen-3-yl-1,2,4-oxadiazole has a molecular weight of 365.41 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-3-thiophen-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 121097382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).