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

C14H12FN5O3S — CID 99843247

IUPAC5-cyclopropyl-3-[[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]sulfonylmethyl]-1,2,4-oxadiazole
SMILESO=S(=O)(Cc1noc(C2CC2)n1)c1nc(-c2ccccc2F)n[nH]1
InChIInChI=1S/C14H12FN5O3S/c15-10-4-2-1-3-9(10)12-17-14(19-18-12)24(21,22)7-11-16-13(23-20-11)8-5-6-8/h1-4,8H,5-7H2,(H,17,18,19)
InChIKeyRHNBSZPLXCPOKT-UHFFFAOYSA-N
MW349.35 g/mol
LogP1.85
Rot. Bonds5

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

5-cyclopropyl-3-[[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]sulfonylmethyl]-1,2,4-oxadiazole (PubChem CID 99843247) has the molecular formula C14H12FN5O3S and a molecular weight of 349.35 g/mol. Its IUPAC name is 5-cyclopropyl-3-[[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]sulfonylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopropyl-3-[[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]sulfonylmethyl]-1,2,4-oxadiazole
PubChem CID99843247
Molecular FormulaC14H12FN5O3S
Molecular Weight349.35 g/mol
Exact Mass349.06
IUPAC Name5-cyclopropyl-3-[[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]sulfonylmethyl]-1,2,4-oxadiazole
SMILESO=S(=O)(Cc1noc(C2CC2)n1)c1nc(-c2ccccc2F)n[nH]1
InChIInChI=1S/C14H12FN5O3S/c15-10-4-2-1-3-9(10)12-17-14(19-18-12)24(21,22)7-11-16-13(23-20-11)8-5-6-8/h1-4,8H,5-7H2,(H,17,18,19)
InChIKeyRHNBSZPLXCPOKT-UHFFFAOYSA-N
XLogP1.85
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]sulfonylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopropyl-3-[[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]sulfonylmethyl]-1,2,4-oxadiazole (CID 99843247) is 5-cyclopropyl-3-[[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]sulfonylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopropyl-3-[[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]sulfonylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopropyl-3-[[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]sulfonylmethyl]-1,2,4-oxadiazole is O=S(=O)(Cc1noc(C2CC2)n1)c1nc(-c2ccccc2F)n[nH]1.
What is the InChIKey of 5-cyclopropyl-3-[[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]sulfonylmethyl]-1,2,4-oxadiazole?
The InChIKey is RHNBSZPLXCPOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5O3S/c15-10-4-2-1-3-9(10)12-17-14(19-18-12)24(21,22)7-11-16-13(23-20-11)8-5-6-8/h1-4,8H,5-7H2,(H,17,18,19).
What are the key properties of 5-cyclopropyl-3-[[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]sulfonylmethyl]-1,2,4-oxadiazole?
5-cyclopropyl-3-[[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]sulfonylmethyl]-1,2,4-oxadiazole has a molecular weight of 349.35 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]sulfonylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 99843247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).