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

C11H10F3NO2 — CID 132530331

IUPAC4-methoxy-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESCOC1COC(c2ccc(C(F)(F)F)cc2)=N1
InChIInChI=1S/C11H10F3NO2/c1-16-9-6-17-10(15-9)7-2-4-8(5-3-7)11(12,13)14/h2-5,9H,6H2,1H3
InChIKeyGGQQAEZFLVAGQI-UHFFFAOYSA-N
MW245.20 g/mol
LogP2.45
Rot. Bonds2

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

4-methoxy-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 132530331) has the molecular formula C11H10F3NO2 and a molecular weight of 245.20 g/mol. Its IUPAC name is 4-methoxy-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-methoxy-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID132530331
Molecular FormulaC11H10F3NO2
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC Name4-methoxy-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESCOC1COC(c2ccc(C(F)(F)F)cc2)=N1
InChIInChI=1S/C11H10F3NO2/c1-16-9-6-17-10(15-9)7-2-4-8(5-3-7)11(12,13)14/h2-5,9H,6H2,1H3
InChIKeyGGQQAEZFLVAGQI-UHFFFAOYSA-N
XLogP2.45
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-Dimethyl-2-phenyl-2-oxazoline
CID 289239
2-Phenyl-2-oxazoline
CID 244030
2,2'-(1,4-Phenylene)bis(4,5-dihydrooxazole)
CID 81929
4,5-Dihydro-2-[3-(trifluoromethyl)phenyl]-oxazole
CID 67984069
Oxazole, 2-(4-fluorophenyl)-4,5-dihydro-4,4-dimethyl-
CID 156132
Mls002667700
CID 244135
2-(4-Methylphenyl)oxazoline
CID 3770227
2-(4-Propylphenyl)-4,5-dihydro-1,3-oxazole
CID 12793312
2-[4-(Trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 2725909
2-(4-Butylphenyl)-4,5-dihydro-1,3-oxazole
CID 132519396
2-(4-Ethylphenyl)-4,5-dihydrooxazole
CID 66764190
2-(4-Decylphenyl)-4,5-dihydro-1,3-oxazole
CID 132519401

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-methoxy-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole (CID 132530331) is 4-methoxy-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-methoxy-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-methoxy-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole is COC1COC(c2ccc(C(F)(F)F)cc2)=N1.
What is the InChIKey of 4-methoxy-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is GGQQAEZFLVAGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO2/c1-16-9-6-17-10(15-9)7-2-4-8(5-3-7)11(12,13)14/h2-5,9H,6H2,1H3.
What are the key properties of 4-methoxy-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole?
4-methoxy-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 245.20 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 132530331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).