[4-(3,5-difluoro-4-methylsulfonylphenyl)-3-(4-methylphenyl)-1,2-oxazol-5-yl]methanol

C18H15F2NO4S — CID 22747211

IUPAC[4-(3,5-difluoro-4-methylsulfonylphenyl)-3-(4-methylphenyl)-1,2-oxazol-5-yl]methanol
SMILESCc1ccc(-c2noc(CO)c2-c2cc(F)c(S(C)(=O)=O)c(F)c2)cc1
InChIInChI=1S/C18H15F2NO4S/c1-10-3-5-11(6-4-10)17-16(15(9-22)25-21-17)12-7-13(19)18(14(20)8-12)26(2,23)24/h3-8,22H,9H2,1-2H3
InChIKeyONJDTKJFUQVBHY-UHFFFAOYSA-N
MW379.38 g/mol
LogP3.49
Rot. Bonds4

About [4-(3,5-difluoro-4-methylsulfonylphenyl)-3-(4-methylphenyl)-1,2-oxazol-5-yl]methanol

[4-(3,5-difluoro-4-methylsulfonylphenyl)-3-(4-methylphenyl)-1,2-oxazol-5-yl]methanol (PubChem CID 22747211) has the molecular formula C18H15F2NO4S and a molecular weight of 379.38 g/mol. Its IUPAC name is [4-(3,5-difluoro-4-methylsulfonylphenyl)-3-(4-methylphenyl)-1,2-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[4-(3,5-difluoro-4-methylsulfonylphenyl)-3-(4-methylphenyl)-1,2-oxazol-5-yl]methanol
PubChem CID22747211
Molecular FormulaC18H15F2NO4S
Molecular Weight379.38 g/mol
Exact Mass379.07
IUPAC Name[4-(3,5-difluoro-4-methylsulfonylphenyl)-3-(4-methylphenyl)-1,2-oxazol-5-yl]methanol
SMILESCc1ccc(-c2noc(CO)c2-c2cc(F)c(S(C)(=O)=O)c(F)c2)cc1
InChIInChI=1S/C18H15F2NO4S/c1-10-3-5-11(6-4-10)17-16(15(9-22)25-21-17)12-7-13(19)18(14(20)8-12)26(2,23)24/h3-8,22H,9H2,1-2H3
InChIKeyONJDTKJFUQVBHY-UHFFFAOYSA-N
XLogP3.49
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3,5-difluoro-4-methylsulfonylphenyl)-3-(6-methyl-2-pyridinyl)-1,2-oxazol-5-yl]methanol
CID 22745420
4-[3-(4-bromo-3-methylphenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]-2,6-difluorobenzenesulfonamide
CID 22745636
4-(3,5-difluoro-4-methylsulfonylphenyl)-5-(fluoromethyl)-3-(5-methyl-3-pyridinyl)-1,2-oxazole
CID 22747205
3-(4-chlorophenyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-5-methyl-1,2-oxazole
CID 22746037
3-(4-bromophenyl)-5-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-1,2-oxazole
CID 22746259
3-(3,5-dibromophenyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-5-methyl-1,2-oxazole
CID 22747010
4-[3-(3-cyano-4-methylphenyl)-5-(fluoromethyl)-1,2-oxazol-4-yl]-2,6-difluorobenzenesulfonamide
CID 22746927
5-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-3-pyridin-3-yl-1,2-oxazole
CID 22745688
4-[3-(3-cyano-4-methylphenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]-2,5-difluorobenzenesulfonamide
CID 22745914
5-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole
CID 22746035
2,5-difluoro-4-[5-(hydroxymethyl)-3-[3-methyl-4-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]benzenesulfonamide
CID 22746963
5-ethyl-4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazole
CID 59810471

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-difluoro-4-methylsulfonylphenyl)-3-(4-methylphenyl)-1,2-oxazol-5-yl]methanol?
The IUPAC name of [4-(3,5-difluoro-4-methylsulfonylphenyl)-3-(4-methylphenyl)-1,2-oxazol-5-yl]methanol (CID 22747211) is [4-(3,5-difluoro-4-methylsulfonylphenyl)-3-(4-methylphenyl)-1,2-oxazol-5-yl]methanol.
What is the SMILES notation for [4-(3,5-difluoro-4-methylsulfonylphenyl)-3-(4-methylphenyl)-1,2-oxazol-5-yl]methanol?
The canonical SMILES for [4-(3,5-difluoro-4-methylsulfonylphenyl)-3-(4-methylphenyl)-1,2-oxazol-5-yl]methanol is Cc1ccc(-c2noc(CO)c2-c2cc(F)c(S(C)(=O)=O)c(F)c2)cc1.
What is the InChIKey of [4-(3,5-difluoro-4-methylsulfonylphenyl)-3-(4-methylphenyl)-1,2-oxazol-5-yl]methanol?
The InChIKey is ONJDTKJFUQVBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2NO4S/c1-10-3-5-11(6-4-10)17-16(15(9-22)25-21-17)12-7-13(19)18(14(20)8-12)26(2,23)24/h3-8,22H,9H2,1-2H3.
What are the key properties of [4-(3,5-difluoro-4-methylsulfonylphenyl)-3-(4-methylphenyl)-1,2-oxazol-5-yl]methanol?
[4-(3,5-difluoro-4-methylsulfonylphenyl)-3-(4-methylphenyl)-1,2-oxazol-5-yl]methanol has a molecular weight of 379.38 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-difluoro-4-methylsulfonylphenyl)-3-(4-methylphenyl)-1,2-oxazol-5-yl]methanol is sourced from PubChem (CID 22747211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).