4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfanylphenyl)-1,2-oxazol-5-ol

C17H16FNO2S — CID 10471079

IUPAC4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfanylphenyl)-1,2-oxazol-5-ol
SMILESCSc1ccc(C2(O)ON(C)C=C2c2ccc(F)cc2)cc1
InChIInChI=1S/C17H16FNO2S/c1-19-11-16(12-3-7-14(18)8-4-12)17(20,21-19)13-5-9-15(22-2)10-6-13/h3-11,20H,1-2H3
InChIKeyAPHVJSYKNKXVSI-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.61
Rot. Bonds3

About 4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfanylphenyl)-1,2-oxazol-5-ol

4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfanylphenyl)-1,2-oxazol-5-ol (PubChem CID 10471079) has the molecular formula C17H16FNO2S and a molecular weight of 317.39 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfanylphenyl)-1,2-oxazol-5-ol.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfanylphenyl)-1,2-oxazol-5-ol
PubChem CID10471079
Molecular FormulaC17H16FNO2S
Molecular Weight317.39 g/mol
Exact Mass317.09
IUPAC Name4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfanylphenyl)-1,2-oxazol-5-ol
SMILESCSc1ccc(C2(O)ON(C)C=C2c2ccc(F)cc2)cc1
InChIInChI=1S/C17H16FNO2S/c1-19-11-16(12-3-7-14(18)8-4-12)17(20,21-19)13-5-9-15(22-2)10-6-13/h3-11,20H,1-2H3
InChIKeyAPHVJSYKNKXVSI-UHFFFAOYSA-N
XLogP3.61
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfanylphenyl)-1,2-oxazol-5-ol?
The IUPAC name of 4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfanylphenyl)-1,2-oxazol-5-ol (CID 10471079) is 4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfanylphenyl)-1,2-oxazol-5-ol.
What is the SMILES notation for 4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfanylphenyl)-1,2-oxazol-5-ol?
The canonical SMILES for 4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfanylphenyl)-1,2-oxazol-5-ol is CSc1ccc(C2(O)ON(C)C=C2c2ccc(F)cc2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfanylphenyl)-1,2-oxazol-5-ol?
The InChIKey is APHVJSYKNKXVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2S/c1-19-11-16(12-3-7-14(18)8-4-12)17(20,21-19)13-5-9-15(22-2)10-6-13/h3-11,20H,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfanylphenyl)-1,2-oxazol-5-ol?
4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfanylphenyl)-1,2-oxazol-5-ol has a molecular weight of 317.39 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfanylphenyl)-1,2-oxazol-5-ol is sourced from PubChem (CID 10471079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).