5-methoxy-2-phenyl-4-(trifluoromethyl)-1,3-oxazole

C11H8F3NO2 — CID 715549

IUPAC5-methoxy-2-phenyl-4-(trifluoromethyl)-1,3-oxazole
SMILESCOc1oc(-c2ccccc2)nc1C(F)(F)F
InChIInChI=1S/C11H8F3NO2/c1-16-10-8(11(12,13)14)15-9(17-10)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyGXZPKCTUWACFKY-UHFFFAOYSA-N
MW243.18 g/mol
LogP3.37
Rot. Bonds2

About 5-methoxy-2-phenyl-4-(trifluoromethyl)-1,3-oxazole

5-methoxy-2-phenyl-4-(trifluoromethyl)-1,3-oxazole (PubChem CID 715549) has the molecular formula C11H8F3NO2 and a molecular weight of 243.18 g/mol. Its IUPAC name is 5-methoxy-2-phenyl-4-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-methoxy-2-phenyl-4-(trifluoromethyl)-1,3-oxazole
PubChem CID715549
Molecular FormulaC11H8F3NO2
Molecular Weight243.18 g/mol
Exact Mass243.05
IUPAC Name5-methoxy-2-phenyl-4-(trifluoromethyl)-1,3-oxazole
SMILESCOc1oc(-c2ccccc2)nc1C(F)(F)F
InChIInChI=1S/C11H8F3NO2/c1-16-10-8(11(12,13)14)15-9(17-10)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyGXZPKCTUWACFKY-UHFFFAOYSA-N
XLogP3.37
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-phenyl-4-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 5-methoxy-2-phenyl-4-(trifluoromethyl)-1,3-oxazole (CID 715549) is 5-methoxy-2-phenyl-4-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 5-methoxy-2-phenyl-4-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 5-methoxy-2-phenyl-4-(trifluoromethyl)-1,3-oxazole is COc1oc(-c2ccccc2)nc1C(F)(F)F.
What is the InChIKey of 5-methoxy-2-phenyl-4-(trifluoromethyl)-1,3-oxazole?
The InChIKey is GXZPKCTUWACFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO2/c1-16-10-8(11(12,13)14)15-9(17-10)7-5-3-2-4-6-7/h2-6H,1H3.
What are the key properties of 5-methoxy-2-phenyl-4-(trifluoromethyl)-1,3-oxazole?
5-methoxy-2-phenyl-4-(trifluoromethyl)-1,3-oxazole has a molecular weight of 243.18 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-phenyl-4-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 715549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).