5-(2-fluoro-6-methylphenyl)-3-methyl-4,5-dihydro-1,2-oxazole

C11H12FNO — CID 58433133

IUPAC5-(2-fluoro-6-methylphenyl)-3-methyl-4,5-dihydro-1,2-oxazole
SMILESCC1=NOC(c2c(C)cccc2F)C1
InChIInChI=1S/C11H12FNO/c1-7-4-3-5-9(12)11(7)10-6-8(2)13-14-10/h3-5,10H,6H2,1-2H3
InChIKeyVFEHOIWVQUKOAS-UHFFFAOYSA-N
MW193.22 g/mol
LogP2.97
Rot. Bonds1

About 5-(2-fluoro-6-methylphenyl)-3-methyl-4,5-dihydro-1,2-oxazole

5-(2-fluoro-6-methylphenyl)-3-methyl-4,5-dihydro-1,2-oxazole (PubChem CID 58433133) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 5-(2-fluoro-6-methylphenyl)-3-methyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-(2-fluoro-6-methylphenyl)-3-methyl-4,5-dihydro-1,2-oxazole
PubChem CID58433133
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name5-(2-fluoro-6-methylphenyl)-3-methyl-4,5-dihydro-1,2-oxazole
SMILESCC1=NOC(c2c(C)cccc2F)C1
InChIInChI=1S/C11H12FNO/c1-7-4-3-5-9(12)11(7)10-6-8(2)13-14-10/h3-5,10H,6H2,1-2H3
InChIKeyVFEHOIWVQUKOAS-UHFFFAOYSA-N
XLogP2.97
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-6-methylphenyl)-3-methyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-(2-fluoro-6-methylphenyl)-3-methyl-4,5-dihydro-1,2-oxazole (CID 58433133) is 5-(2-fluoro-6-methylphenyl)-3-methyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-(2-fluoro-6-methylphenyl)-3-methyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-(2-fluoro-6-methylphenyl)-3-methyl-4,5-dihydro-1,2-oxazole is CC1=NOC(c2c(C)cccc2F)C1.
What is the InChIKey of 5-(2-fluoro-6-methylphenyl)-3-methyl-4,5-dihydro-1,2-oxazole?
The InChIKey is VFEHOIWVQUKOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c1-7-4-3-5-9(12)11(7)10-6-8(2)13-14-10/h3-5,10H,6H2,1-2H3.
What are the key properties of 5-(2-fluoro-6-methylphenyl)-3-methyl-4,5-dihydro-1,2-oxazole?
5-(2-fluoro-6-methylphenyl)-3-methyl-4,5-dihydro-1,2-oxazole has a molecular weight of 193.22 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-6-methylphenyl)-3-methyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 58433133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).