5-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-3-pyridin-3-yl-1,2-oxazole

C16H10F4N2O3S — CID 22745688

IUPAC5-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-3-pyridin-3-yl-1,2-oxazole
SMILESCS(=O)(=O)c1c(F)cc(-c2c(-c3cccnc3)noc2C(F)F)cc1F
InChIInChI=1S/C16H10F4N2O3S/c1-26(23,24)15-10(17)5-9(6-11(15)18)12-13(8-3-2-4-21-7-8)22-25-14(12)16(19)20/h2-7,16H,1H3
InChIKeyOSKTXKAZLHIFMQ-UHFFFAOYSA-N
MW386.33 g/mol
LogP4.02
Rot. Bonds4

About 5-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-3-pyridin-3-yl-1,2-oxazole

5-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-3-pyridin-3-yl-1,2-oxazole (PubChem CID 22745688) has the molecular formula C16H10F4N2O3S and a molecular weight of 386.33 g/mol. Its IUPAC name is 5-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-3-pyridin-3-yl-1,2-oxazole.

Molecular Properties

Compound Name5-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-3-pyridin-3-yl-1,2-oxazole
PubChem CID22745688
Molecular FormulaC16H10F4N2O3S
Molecular Weight386.33 g/mol
Exact Mass386.03
IUPAC Name5-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-3-pyridin-3-yl-1,2-oxazole
SMILESCS(=O)(=O)c1c(F)cc(-c2c(-c3cccnc3)noc2C(F)F)cc1F
InChIInChI=1S/C16H10F4N2O3S/c1-26(23,24)15-10(17)5-9(6-11(15)18)12-13(8-3-2-4-21-7-8)22-25-14(12)16(19)20/h2-7,16H,1H3
InChIKeyOSKTXKAZLHIFMQ-UHFFFAOYSA-N
XLogP4.02
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.33
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-bromophenyl)-5-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-1,2-oxazole
CID 22746259
5-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole
CID 22746035
5-(difluoromethyl)-4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazole
CID 10154821
3-(3,5-difluoro-4-methylsulfonylphenyl)-4-pyridin-3-ylpyridine
CID 22745739
3-[5-(3,5-difluoro-4-methylsulfonylphenyl)cyclopenta-1,4-dien-1-yl]pyridine
CID 22745487
4-[5-(difluoromethyl)-3-(6-methyl-2-pyridinyl)-1,2-oxazol-4-yl]-2,6-difluorobenzenesulfonamide
CID 22745916
4-[5-(difluoromethyl)-3-[3-methyl-4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]-2,6-difluorobenzenesulfonamide
CID 22746022
3-(4-chlorophenyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-5-methyl-1,2-oxazole
CID 22746037
4-(3,5-difluoro-4-methylsulfonylphenyl)-5-(fluoromethyl)-3-(5-methyl-3-pyridinyl)-1,2-oxazole
CID 22747205
[4-(3,5-difluoro-4-methylsulfonylphenyl)-3-(4-methylphenyl)-1,2-oxazol-5-yl]methanol
CID 22747211
3-(3,5-dibromophenyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-5-methyl-1,2-oxazole
CID 22747010
4-(4-bromophenyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole
CID 58833244

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-3-pyridin-3-yl-1,2-oxazole?
The IUPAC name of 5-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-3-pyridin-3-yl-1,2-oxazole (CID 22745688) is 5-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-3-pyridin-3-yl-1,2-oxazole.
What is the SMILES notation for 5-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-3-pyridin-3-yl-1,2-oxazole?
The canonical SMILES for 5-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-3-pyridin-3-yl-1,2-oxazole is CS(=O)(=O)c1c(F)cc(-c2c(-c3cccnc3)noc2C(F)F)cc1F.
What is the InChIKey of 5-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-3-pyridin-3-yl-1,2-oxazole?
The InChIKey is OSKTXKAZLHIFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F4N2O3S/c1-26(23,24)15-10(17)5-9(6-11(15)18)12-13(8-3-2-4-21-7-8)22-25-14(12)16(19)20/h2-7,16H,1H3.
What are the key properties of 5-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-3-pyridin-3-yl-1,2-oxazole?
5-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-3-pyridin-3-yl-1,2-oxazole has a molecular weight of 386.33 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-3-pyridin-3-yl-1,2-oxazole is sourced from PubChem (CID 22745688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).