5-cyclopropyl-3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole

C12H11FN2O3S — CID 47417374

IUPAC5-cyclopropyl-3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole
SMILESO=S(=O)(Cc1noc(C2CC2)n1)c1ccc(F)cc1
InChIInChI=1S/C12H11FN2O3S/c13-9-3-5-10(6-4-9)19(16,17)7-11-14-12(18-15-11)8-1-2-8/h3-6,8H,1-2,7H2
InChIKeyYCAKZFKVHOGQEM-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.06
Rot. Bonds4

About 5-cyclopropyl-3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole

5-cyclopropyl-3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole (PubChem CID 47417374) has the molecular formula C12H11FN2O3S and a molecular weight of 282.30 g/mol. Its IUPAC name is 5-cyclopropyl-3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopropyl-3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole
PubChem CID47417374
Molecular FormulaC12H11FN2O3S
Molecular Weight282.30 g/mol
Exact Mass282.05
IUPAC Name5-cyclopropyl-3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole
SMILESO=S(=O)(Cc1noc(C2CC2)n1)c1ccc(F)cc1
InChIInChI=1S/C12H11FN2O3S/c13-9-3-5-10(6-4-9)19(16,17)7-11-14-12(18-15-11)8-1-2-8/h3-6,8H,1-2,7H2
InChIKeyYCAKZFKVHOGQEM-UHFFFAOYSA-N
XLogP2.06
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-Cyclopropyl-3-[1-(4-fluorobenzenesulfonyl)pyrrolidin-3-YL]-1,2,4-oxadiazole
CID 91905605
5-Cyclobutyl-3-[(4-fluorophenyl)methylsulfonylmethyl]-1,2,4-oxadiazole
CID 2742631
3-(Benzenesulfonylmethyl)-5-(2-methylpropyl)-1,2,4-oxadiazole
CID 45825912
3-Cyclopropyl-5-[(2,5-difluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole
CID 45826027
3-Cyclopropyl-5-[(2-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole
CID 45826192
3-Cyclopropyl-5-(2-phenylethylsulfonylmethyl)-1,2,4-oxadiazole
CID 47206842
5-[(2,5-Difluorophenyl)sulfonylmethyl]-3-methyl-1,2,4-oxadiazole
CID 47218072
3-cyclopropyl-5-[[(E)-3-phenylprop-2-enyl]sulfonylmethyl]-1,2,4-oxadiazole
CID 53524520
3-(benzenesulfonyl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 70717361
2-(5-Cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl phenyl sulfone
CID 50844112
5-Tert-butyl-3-[(2-fluorophenyl)methylsulfonylmethyl]-1,2,4-oxadiazole
CID 45822947
3-[(2,4-Dimethylphenyl)sulfonylmethyl]-5-(2-methylpropyl)-1,2,4-oxadiazole
CID 45826130

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopropyl-3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole (CID 47417374) is 5-cyclopropyl-3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopropyl-3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopropyl-3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole is O=S(=O)(Cc1noc(C2CC2)n1)c1ccc(F)cc1.
What is the InChIKey of 5-cyclopropyl-3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole?
The InChIKey is YCAKZFKVHOGQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3S/c13-9-3-5-10(6-4-9)19(16,17)7-11-14-12(18-15-11)8-1-2-8/h3-6,8H,1-2,7H2.
What are the key properties of 5-cyclopropyl-3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole?
5-cyclopropyl-3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole has a molecular weight of 282.30 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 47417374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).