[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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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).