[5-(4-fluorophenyl)-2-methylsulfanyl-1,3-oxazol-4-yl]methanol

C11H10FNO2S — CID 18700449

IUPAC[5-(4-fluorophenyl)-2-methylsulfanyl-1,3-oxazol-4-yl]methanol
SMILESCSc1nc(CO)c(-c2ccc(F)cc2)o1
InChIInChI=1S/C11H10FNO2S/c1-16-11-13-9(6-14)10(15-11)7-2-4-8(12)5-3-7/h2-5,14H,6H2,1H3
InChIKeyBUAGRVMJOVHBOD-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.69
Rot. Bonds3

About [5-(4-fluorophenyl)-2-methylsulfanyl-1,3-oxazol-4-yl]methanol

[5-(4-fluorophenyl)-2-methylsulfanyl-1,3-oxazol-4-yl]methanol (PubChem CID 18700449) has the molecular formula C11H10FNO2S and a molecular weight of 239.27 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-2-methylsulfanyl-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-2-methylsulfanyl-1,3-oxazol-4-yl]methanol
PubChem CID18700449
Molecular FormulaC11H10FNO2S
Molecular Weight239.27 g/mol
Exact Mass239.04
IUPAC Name[5-(4-fluorophenyl)-2-methylsulfanyl-1,3-oxazol-4-yl]methanol
SMILESCSc1nc(CO)c(-c2ccc(F)cc2)o1
InChIInChI=1S/C11H10FNO2S/c1-16-11-13-9(6-14)10(15-11)7-2-4-8(12)5-3-7/h2-5,14H,6H2,1H3
InChIKeyBUAGRVMJOVHBOD-UHFFFAOYSA-N
XLogP2.69
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-2-methylsulfanyl-1,3-oxazol-4-yl]methanol?
The IUPAC name of [5-(4-fluorophenyl)-2-methylsulfanyl-1,3-oxazol-4-yl]methanol (CID 18700449) is [5-(4-fluorophenyl)-2-methylsulfanyl-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for [5-(4-fluorophenyl)-2-methylsulfanyl-1,3-oxazol-4-yl]methanol?
The canonical SMILES for [5-(4-fluorophenyl)-2-methylsulfanyl-1,3-oxazol-4-yl]methanol is CSc1nc(CO)c(-c2ccc(F)cc2)o1.
What is the InChIKey of [5-(4-fluorophenyl)-2-methylsulfanyl-1,3-oxazol-4-yl]methanol?
The InChIKey is BUAGRVMJOVHBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2S/c1-16-11-13-9(6-14)10(15-11)7-2-4-8(12)5-3-7/h2-5,14H,6H2,1H3.
What are the key properties of [5-(4-fluorophenyl)-2-methylsulfanyl-1,3-oxazol-4-yl]methanol?
[5-(4-fluorophenyl)-2-methylsulfanyl-1,3-oxazol-4-yl]methanol has a molecular weight of 239.27 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-2-methylsulfanyl-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 18700449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).