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

C17H14F2N2O3S — CID 22745441

IUPAC4-(3,5-difluoro-4-methylsulfonylphenyl)-5-methyl-3-(6-methyl-2-pyridinyl)-1,2-oxazole
SMILESCc1cccc(-c2noc(C)c2-c2cc(F)c(S(C)(=O)=O)c(F)c2)n1
InChIInChI=1S/C17H14F2N2O3S/c1-9-5-4-6-14(20-9)16-15(10(2)24-21-16)11-7-12(18)17(13(19)8-11)25(3,22)23/h4-8H,1-3H3
InChIKeyRSCOACODXZUGQM-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.70
Rot. Bonds3

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

4-(3,5-difluoro-4-methylsulfonylphenyl)-5-methyl-3-(6-methyl-2-pyridinyl)-1,2-oxazole (PubChem CID 22745441) has the molecular formula C17H14F2N2O3S and a molecular weight of 364.37 g/mol. Its IUPAC name is 4-(3,5-difluoro-4-methylsulfonylphenyl)-5-methyl-3-(6-methyl-2-pyridinyl)-1,2-oxazole.

Molecular Properties

Compound Name4-(3,5-difluoro-4-methylsulfonylphenyl)-5-methyl-3-(6-methyl-2-pyridinyl)-1,2-oxazole
PubChem CID22745441
Molecular FormulaC17H14F2N2O3S
Molecular Weight364.37 g/mol
Exact Mass364.07
IUPAC Name4-(3,5-difluoro-4-methylsulfonylphenyl)-5-methyl-3-(6-methyl-2-pyridinyl)-1,2-oxazole
SMILESCc1cccc(-c2noc(C)c2-c2cc(F)c(S(C)(=O)=O)c(F)c2)n1
InChIInChI=1S/C17H14F2N2O3S/c1-9-5-4-6-14(20-9)16-15(10(2)24-21-16)11-7-12(18)17(13(19)8-11)25(3,22)23/h4-8H,1-3H3
InChIKeyRSCOACODXZUGQM-UHFFFAOYSA-N
XLogP3.70
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluoro-4-methylsulfonylphenyl)-5-methyl-3-(6-methyl-2-pyridinyl)-1,2-oxazole?
The IUPAC name of 4-(3,5-difluoro-4-methylsulfonylphenyl)-5-methyl-3-(6-methyl-2-pyridinyl)-1,2-oxazole (CID 22745441) is 4-(3,5-difluoro-4-methylsulfonylphenyl)-5-methyl-3-(6-methyl-2-pyridinyl)-1,2-oxazole.
What is the SMILES notation for 4-(3,5-difluoro-4-methylsulfonylphenyl)-5-methyl-3-(6-methyl-2-pyridinyl)-1,2-oxazole?
The canonical SMILES for 4-(3,5-difluoro-4-methylsulfonylphenyl)-5-methyl-3-(6-methyl-2-pyridinyl)-1,2-oxazole is Cc1cccc(-c2noc(C)c2-c2cc(F)c(S(C)(=O)=O)c(F)c2)n1.
What is the InChIKey of 4-(3,5-difluoro-4-methylsulfonylphenyl)-5-methyl-3-(6-methyl-2-pyridinyl)-1,2-oxazole?
The InChIKey is RSCOACODXZUGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O3S/c1-9-5-4-6-14(20-9)16-15(10(2)24-21-16)11-7-12(18)17(13(19)8-11)25(3,22)23/h4-8H,1-3H3.
What are the key properties of 4-(3,5-difluoro-4-methylsulfonylphenyl)-5-methyl-3-(6-methyl-2-pyridinyl)-1,2-oxazole?
4-(3,5-difluoro-4-methylsulfonylphenyl)-5-methyl-3-(6-methyl-2-pyridinyl)-1,2-oxazole has a molecular weight of 364.37 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluoro-4-methylsulfonylphenyl)-5-methyl-3-(6-methyl-2-pyridinyl)-1,2-oxazole is sourced from PubChem (CID 22745441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).