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

C12H11FN2O3S — CID 47417453

IUPAC5-cyclopropyl-3-[(2-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole
SMILESO=S(=O)(Cc1noc(C2CC2)n1)c1ccccc1F
InChIInChI=1S/C12H11FN2O3S/c13-9-3-1-2-4-10(9)19(16,17)7-11-14-12(18-15-11)8-5-6-8/h1-4,8H,5-7H2
InChIKeyBZQGGRKFMJFPKA-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.06
Rot. Bonds4

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

5-cyclopropyl-3-[(2-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole (PubChem CID 47417453) has the molecular formula C12H11FN2O3S and a molecular weight of 282.30 g/mol. Its IUPAC name is 5-cyclopropyl-3-[(2-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopropyl-3-[(2-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole
PubChem CID47417453
Molecular FormulaC12H11FN2O3S
Molecular Weight282.30 g/mol
Exact Mass282.05
IUPAC Name5-cyclopropyl-3-[(2-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole
SMILESO=S(=O)(Cc1noc(C2CC2)n1)c1ccccc1F
InChIInChI=1S/C12H11FN2O3S/c13-9-3-1-2-4-10(9)19(16,17)7-11-14-12(18-15-11)8-5-6-8/h1-4,8H,5-7H2
InChIKeyBZQGGRKFMJFPKA-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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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[(2-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopropyl-3-[(2-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole (CID 47417453) is 5-cyclopropyl-3-[(2-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopropyl-3-[(2-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopropyl-3-[(2-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole is O=S(=O)(Cc1noc(C2CC2)n1)c1ccccc1F.
What is the InChIKey of 5-cyclopropyl-3-[(2-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole?
The InChIKey is BZQGGRKFMJFPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3S/c13-9-3-1-2-4-10(9)19(16,17)7-11-14-12(18-15-11)8-5-6-8/h1-4,8H,5-7H2.
What are the key properties of 5-cyclopropyl-3-[(2-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole?
5-cyclopropyl-3-[(2-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-[(2-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 47417453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).