[4-(3,5-difluoro-4-methylsulfonylphenyl)-3-(6-methyl-2-pyridinyl)-1,2-oxazol-5-yl]methanol

C17H14F2N2O4S — CID 22745420

IUPAC[4-(3,5-difluoro-4-methylsulfonylphenyl)-3-(6-methyl-2-pyridinyl)-1,2-oxazol-5-yl]methanol
SMILESCc1cccc(-c2noc(CO)c2-c2cc(F)c(S(C)(=O)=O)c(F)c2)n1
InChIInChI=1S/C17H14F2N2O4S/c1-9-4-3-5-13(20-9)16-15(14(8-22)25-21-16)10-6-11(18)17(12(19)7-10)26(2,23)24/h3-7,22H,8H2,1-2H3
InChIKeyREQBSGKWTFNMQT-UHFFFAOYSA-N
MW380.37 g/mol
LogP2.89
Rot. Bonds4

About [4-(3,5-difluoro-4-methylsulfonylphenyl)-3-(6-methyl-2-pyridinyl)-1,2-oxazol-5-yl]methanol

[4-(3,5-difluoro-4-methylsulfonylphenyl)-3-(6-methyl-2-pyridinyl)-1,2-oxazol-5-yl]methanol (PubChem CID 22745420) has the molecular formula C17H14F2N2O4S and a molecular weight of 380.37 g/mol. Its IUPAC name is [4-(3,5-difluoro-4-methylsulfonylphenyl)-3-(6-methyl-2-pyridinyl)-1,2-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[4-(3,5-difluoro-4-methylsulfonylphenyl)-3-(6-methyl-2-pyridinyl)-1,2-oxazol-5-yl]methanol
PubChem CID22745420
Molecular FormulaC17H14F2N2O4S
Molecular Weight380.37 g/mol
Exact Mass380.06
IUPAC Name[4-(3,5-difluoro-4-methylsulfonylphenyl)-3-(6-methyl-2-pyridinyl)-1,2-oxazol-5-yl]methanol
SMILESCc1cccc(-c2noc(CO)c2-c2cc(F)c(S(C)(=O)=O)c(F)c2)n1
InChIInChI=1S/C17H14F2N2O4S/c1-9-4-3-5-13(20-9)16-15(14(8-22)25-21-16)10-6-11(18)17(12(19)7-10)26(2,23)24/h3-7,22H,8H2,1-2H3
InChIKeyREQBSGKWTFNMQT-UHFFFAOYSA-N
XLogP2.89
TPSA93.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(3,5-difluoro-4-methylsulfonylphenyl)-3-(4-methylphenyl)-1,2-oxazol-5-yl]methanol
CID 22747211
4-[5-(difluoromethyl)-3-(6-methyl-2-pyridinyl)-1,2-oxazol-4-yl]-2,6-difluorobenzenesulfonamide
CID 22745916
4-[3-(4-bromo-3-methylphenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]-2,6-difluorobenzenesulfonamide
CID 22745636
2-[5-(3,5-difluoro-4-methylsulfonylphenyl)cyclopenta-1,4-dien-1-yl]-6-methylpyridine
CID 22747015
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
3-(3,5-dibromophenyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-5-methyl-1,2-oxazole
CID 22747010
2-(3,4-difluorophenyl)-6-methylpyridine
CID 67475001
5-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole
CID 22746035
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-pyridin-3-yl-1,2-oxazole
CID 22745688
2-[4-[4-fluoro-3-(4-methylsulfonylphenyl)phenyl]-1H-pyrazol-5-yl]-6-methylpyridine
CID 11553254

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-difluoro-4-methylsulfonylphenyl)-3-(6-methyl-2-pyridinyl)-1,2-oxazol-5-yl]methanol?
The IUPAC name of [4-(3,5-difluoro-4-methylsulfonylphenyl)-3-(6-methyl-2-pyridinyl)-1,2-oxazol-5-yl]methanol (CID 22745420) is [4-(3,5-difluoro-4-methylsulfonylphenyl)-3-(6-methyl-2-pyridinyl)-1,2-oxazol-5-yl]methanol.
What is the SMILES notation for [4-(3,5-difluoro-4-methylsulfonylphenyl)-3-(6-methyl-2-pyridinyl)-1,2-oxazol-5-yl]methanol?
The canonical SMILES for [4-(3,5-difluoro-4-methylsulfonylphenyl)-3-(6-methyl-2-pyridinyl)-1,2-oxazol-5-yl]methanol is Cc1cccc(-c2noc(CO)c2-c2cc(F)c(S(C)(=O)=O)c(F)c2)n1.
What is the InChIKey of [4-(3,5-difluoro-4-methylsulfonylphenyl)-3-(6-methyl-2-pyridinyl)-1,2-oxazol-5-yl]methanol?
The InChIKey is REQBSGKWTFNMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O4S/c1-9-4-3-5-13(20-9)16-15(14(8-22)25-21-16)10-6-11(18)17(12(19)7-10)26(2,23)24/h3-7,22H,8H2,1-2H3.
What are the key properties of [4-(3,5-difluoro-4-methylsulfonylphenyl)-3-(6-methyl-2-pyridinyl)-1,2-oxazol-5-yl]methanol?
[4-(3,5-difluoro-4-methylsulfonylphenyl)-3-(6-methyl-2-pyridinyl)-1,2-oxazol-5-yl]methanol has a molecular weight of 380.37 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-difluoro-4-methylsulfonylphenyl)-3-(6-methyl-2-pyridinyl)-1,2-oxazol-5-yl]methanol is sourced from PubChem (CID 22745420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).