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

C17H12ClF2NO3S — CID 22746037

IUPAC3-(4-chlorophenyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-5-methyl-1,2-oxazole
SMILESCc1onc(-c2ccc(Cl)cc2)c1-c1cc(F)c(S(C)(=O)=O)c(F)c1
InChIInChI=1S/C17H12ClF2NO3S/c1-9-15(16(21-24-9)10-3-5-12(18)6-4-10)11-7-13(19)17(14(20)8-11)25(2,22)23/h3-8H,1-2H3
InChIKeyAWQKSWTUDXLANG-UHFFFAOYSA-N
MW383.80 g/mol
LogP4.65
Rot. Bonds3

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

3-(4-chlorophenyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-5-methyl-1,2-oxazole (PubChem CID 22746037) has the molecular formula C17H12ClF2NO3S and a molecular weight of 383.80 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-5-methyl-1,2-oxazole
PubChem CID22746037
Molecular FormulaC17H12ClF2NO3S
Molecular Weight383.80 g/mol
Exact Mass383.02
IUPAC Name3-(4-chlorophenyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-5-methyl-1,2-oxazole
SMILESCc1onc(-c2ccc(Cl)cc2)c1-c1cc(F)c(S(C)(=O)=O)c(F)c1
InChIInChI=1S/C17H12ClF2NO3S/c1-9-15(16(21-24-9)10-3-5-12(18)6-4-10)11-7-13(19)17(14(20)8-11)25(2,22)23/h3-8H,1-2H3
InChIKeyAWQKSWTUDXLANG-UHFFFAOYSA-N
XLogP4.65
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.80
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dibromophenyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-5-methyl-1,2-oxazole
CID 22747010
4-[3-(4-chloro-3-methylphenyl)-5-methyl-1,2-oxazol-4-yl]-2,6-difluorobenzenesulfonamide
CID 22745952
[4-(3,5-difluoro-4-methylsulfonylphenyl)-3-(4-methylphenyl)-1,2-oxazol-5-yl]methanol
CID 22747211
3-(4-bromophenyl)-5-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-1,2-oxazole
CID 22746259
3-(3,4-dichlorophenyl)-4-(2,5-difluoro-4-methylsulfonylphenyl)-5-methyl-1,2-oxazole
CID 22745398
3-(4-bromo-3-methylphenyl)-4-(3-fluoro-4-methylsulfonylphenyl)-5-methyl-1,2-oxazole
CID 22317017
[4-(3,5-difluoro-4-methylsulfonylphenyl)-3-(6-methyl-2-pyridinyl)-1,2-oxazol-5-yl]methanol
CID 22745420
4-(3,5-difluoro-4-methylsulfonylphenyl)-5-(fluoromethyl)-3-(5-methyl-3-pyridinyl)-1,2-oxazole
CID 22747205
3-(4-chlorophenyl)-4-[2-(4-chlorophenyl)sulfonylpyrazol-3-yl]-5-methyl-1,2-oxazole
CID 2745582
5-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-3-pyridin-3-yl-1,2-oxazole
CID 22745688
3-(4-chlorophenyl)-5-methyl-4-(1H-pyrazol-5-yl)-1,2-oxazole
CID 2745567
3-(3,4-dibromophenyl)-4-(2,5-difluoro-4-methylsulfonylphenyl)-5-methyl-1,2-oxazole
CID 22746311

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-5-methyl-1,2-oxazole?
The IUPAC name of 3-(4-chlorophenyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-5-methyl-1,2-oxazole (CID 22746037) is 3-(4-chlorophenyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-(4-chlorophenyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-5-methyl-1,2-oxazole?
The canonical SMILES for 3-(4-chlorophenyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-5-methyl-1,2-oxazole is Cc1onc(-c2ccc(Cl)cc2)c1-c1cc(F)c(S(C)(=O)=O)c(F)c1.
What is the InChIKey of 3-(4-chlorophenyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-5-methyl-1,2-oxazole?
The InChIKey is AWQKSWTUDXLANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF2NO3S/c1-9-15(16(21-24-9)10-3-5-12(18)6-4-10)11-7-13(19)17(14(20)8-11)25(2,22)23/h3-8H,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-5-methyl-1,2-oxazole?
3-(4-chlorophenyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-5-methyl-1,2-oxazole has a molecular weight of 383.80 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-5-methyl-1,2-oxazole is sourced from PubChem (CID 22746037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).