2-methylsulfonyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole

C15H10F3N3O4S — CID 18921393

IUPAC2-methylsulfonyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole
SMILESCS(=O)(=O)c1nnc(-c2cccc(Oc3cccc(C(F)(F)F)c3)n2)o1
InChIInChI=1S/C15H10F3N3O4S/c1-26(22,23)14-21-20-13(25-14)11-6-3-7-12(19-11)24-10-5-2-4-9(8-10)15(16,17)18/h2-8H,1H3
InChIKeyDHJNSMGXFZFLHP-UHFFFAOYSA-N
MW385.32 g/mol
LogP3.35
Rot. Bonds4

About 2-methylsulfonyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole

2-methylsulfonyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole (PubChem CID 18921393) has the molecular formula C15H10F3N3O4S and a molecular weight of 385.32 g/mol. Its IUPAC name is 2-methylsulfonyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methylsulfonyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole
PubChem CID18921393
Molecular FormulaC15H10F3N3O4S
Molecular Weight385.32 g/mol
Exact Mass385.03
IUPAC Name2-methylsulfonyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole
SMILESCS(=O)(=O)c1nnc(-c2cccc(Oc3cccc(C(F)(F)F)c3)n2)o1
InChIInChI=1S/C15H10F3N3O4S/c1-26(22,23)14-21-20-13(25-14)11-6-3-7-12(19-11)24-10-5-2-4-9(8-10)15(16,17)18/h2-8H,1H3
InChIKeyDHJNSMGXFZFLHP-UHFFFAOYSA-N
XLogP3.35
TPSA95.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.32
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methylsulfonyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole (CID 18921393) is 2-methylsulfonyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methylsulfonyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methylsulfonyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole is CS(=O)(=O)c1nnc(-c2cccc(Oc3cccc(C(F)(F)F)c3)n2)o1.
What is the InChIKey of 2-methylsulfonyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is DHJNSMGXFZFLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O4S/c1-26(22,23)14-21-20-13(25-14)11-6-3-7-12(19-11)24-10-5-2-4-9(8-10)15(16,17)18/h2-8H,1H3.
What are the key properties of 2-methylsulfonyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole?
2-methylsulfonyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 385.32 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 18921393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).