4-(2,5-difluoro-4-methylsulfonylphenyl)-5-(fluoromethyl)-3-(6-methyl-2-pyridinyl)-1,2-oxazole

C17H13F3N2O3S — CID 22745537

IUPAC4-(2,5-difluoro-4-methylsulfonylphenyl)-5-(fluoromethyl)-3-(6-methyl-2-pyridinyl)-1,2-oxazole
SMILESCc1cccc(-c2noc(CF)c2-c2cc(F)c(S(C)(=O)=O)cc2F)n1
InChIInChI=1S/C17H13F3N2O3S/c1-9-4-3-5-13(21-9)17-16(14(8-18)25-22-17)10-6-12(20)15(7-11(10)19)26(2,23)24/h3-7H,8H2,1-2H3
InChIKeyQRVNQMTUEIIVNH-UHFFFAOYSA-N
MW382.36 g/mol
LogP3.86
Rot. Bonds4

About 4-(2,5-difluoro-4-methylsulfonylphenyl)-5-(fluoromethyl)-3-(6-methyl-2-pyridinyl)-1,2-oxazole

4-(2,5-difluoro-4-methylsulfonylphenyl)-5-(fluoromethyl)-3-(6-methyl-2-pyridinyl)-1,2-oxazole (PubChem CID 22745537) has the molecular formula C17H13F3N2O3S and a molecular weight of 382.36 g/mol. Its IUPAC name is 4-(2,5-difluoro-4-methylsulfonylphenyl)-5-(fluoromethyl)-3-(6-methyl-2-pyridinyl)-1,2-oxazole.

Molecular Properties

Compound Name4-(2,5-difluoro-4-methylsulfonylphenyl)-5-(fluoromethyl)-3-(6-methyl-2-pyridinyl)-1,2-oxazole
PubChem CID22745537
Molecular FormulaC17H13F3N2O3S
Molecular Weight382.36 g/mol
Exact Mass382.06
IUPAC Name4-(2,5-difluoro-4-methylsulfonylphenyl)-5-(fluoromethyl)-3-(6-methyl-2-pyridinyl)-1,2-oxazole
SMILESCc1cccc(-c2noc(CF)c2-c2cc(F)c(S(C)(=O)=O)cc2F)n1
InChIInChI=1S/C17H13F3N2O3S/c1-9-4-3-5-13(21-9)17-16(14(8-18)25-22-17)10-6-12(20)15(7-11(10)19)26(2,23)24/h3-7H,8H2,1-2H3
InChIKeyQRVNQMTUEIIVNH-UHFFFAOYSA-N
XLogP3.86
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.36
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluoro-4-methylsulfonylphenyl)-5-(fluoromethyl)-3-(6-methyl-2-pyridinyl)-1,2-oxazole?
The IUPAC name of 4-(2,5-difluoro-4-methylsulfonylphenyl)-5-(fluoromethyl)-3-(6-methyl-2-pyridinyl)-1,2-oxazole (CID 22745537) is 4-(2,5-difluoro-4-methylsulfonylphenyl)-5-(fluoromethyl)-3-(6-methyl-2-pyridinyl)-1,2-oxazole.
What is the SMILES notation for 4-(2,5-difluoro-4-methylsulfonylphenyl)-5-(fluoromethyl)-3-(6-methyl-2-pyridinyl)-1,2-oxazole?
The canonical SMILES for 4-(2,5-difluoro-4-methylsulfonylphenyl)-5-(fluoromethyl)-3-(6-methyl-2-pyridinyl)-1,2-oxazole is Cc1cccc(-c2noc(CF)c2-c2cc(F)c(S(C)(=O)=O)cc2F)n1.
What is the InChIKey of 4-(2,5-difluoro-4-methylsulfonylphenyl)-5-(fluoromethyl)-3-(6-methyl-2-pyridinyl)-1,2-oxazole?
The InChIKey is QRVNQMTUEIIVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O3S/c1-9-4-3-5-13(21-9)17-16(14(8-18)25-22-17)10-6-12(20)15(7-11(10)19)26(2,23)24/h3-7H,8H2,1-2H3.
What are the key properties of 4-(2,5-difluoro-4-methylsulfonylphenyl)-5-(fluoromethyl)-3-(6-methyl-2-pyridinyl)-1,2-oxazole?
4-(2,5-difluoro-4-methylsulfonylphenyl)-5-(fluoromethyl)-3-(6-methyl-2-pyridinyl)-1,2-oxazole has a molecular weight of 382.36 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluoro-4-methylsulfonylphenyl)-5-(fluoromethyl)-3-(6-methyl-2-pyridinyl)-1,2-oxazole is sourced from PubChem (CID 22745537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).