5-(3-fluoro-5-methylphenyl)-1,3-oxazole

C10H8FNO — CID 89094938

IUPAC5-(3-fluoro-5-methylphenyl)-1,3-oxazole
SMILESCc1cc(F)cc(-c2cnco2)c1
InChIInChI=1S/C10H8FNO/c1-7-2-8(4-9(11)3-7)10-5-12-6-13-10/h2-6H,1H3
InChIKeyAIPUMSTTYXXDOS-UHFFFAOYSA-N
MW177.18 g/mol
LogP2.79
Rot. Bonds1

About 5-(3-fluoro-5-methylphenyl)-1,3-oxazole

5-(3-fluoro-5-methylphenyl)-1,3-oxazole (PubChem CID 89094938) has the molecular formula C10H8FNO and a molecular weight of 177.18 g/mol. Its IUPAC name is 5-(3-fluoro-5-methylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(3-fluoro-5-methylphenyl)-1,3-oxazole
PubChem CID89094938
Molecular FormulaC10H8FNO
Molecular Weight177.18 g/mol
Exact Mass177.06
IUPAC Name5-(3-fluoro-5-methylphenyl)-1,3-oxazole
SMILESCc1cc(F)cc(-c2cnco2)c1
InChIInChI=1S/C10H8FNO/c1-7-2-8(4-9(11)3-7)10-5-12-6-13-10/h2-6H,1H3
InChIKeyAIPUMSTTYXXDOS-UHFFFAOYSA-N
XLogP2.79
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-5-methylphenyl)-1,3-oxazole?
The IUPAC name of 5-(3-fluoro-5-methylphenyl)-1,3-oxazole (CID 89094938) is 5-(3-fluoro-5-methylphenyl)-1,3-oxazole.
What is the SMILES notation for 5-(3-fluoro-5-methylphenyl)-1,3-oxazole?
The canonical SMILES for 5-(3-fluoro-5-methylphenyl)-1,3-oxazole is Cc1cc(F)cc(-c2cnco2)c1.
What is the InChIKey of 5-(3-fluoro-5-methylphenyl)-1,3-oxazole?
The InChIKey is AIPUMSTTYXXDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO/c1-7-2-8(4-9(11)3-7)10-5-12-6-13-10/h2-6H,1H3.
What are the key properties of 5-(3-fluoro-5-methylphenyl)-1,3-oxazole?
5-(3-fluoro-5-methylphenyl)-1,3-oxazole has a molecular weight of 177.18 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-5-methylphenyl)-1,3-oxazole is sourced from PubChem (CID 89094938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).