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

C10H8F3NO — CID 123323469

IUPAC3-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole
SMILESFC(F)(F)c1cccc(C2=CCON2)c1
InChIInChI=1S/C10H8F3NO/c11-10(12,13)8-3-1-2-7(6-8)9-4-5-15-14-9/h1-4,6,14H,5H2
InChIKeyLAWJARJVEXWDAK-UHFFFAOYSA-N
MW215.17 g/mol
LogP2.58
Rot. Bonds1

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

3-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole (PubChem CID 123323469) has the molecular formula C10H8F3NO and a molecular weight of 215.17 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole
PubChem CID123323469
Molecular FormulaC10H8F3NO
Molecular Weight215.17 g/mol
Exact Mass215.06
IUPAC Name3-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole
SMILESFC(F)(F)c1cccc(C2=CCON2)c1
InChIInChI=1S/C10H8F3NO/c11-10(12,13)8-3-1-2-7(6-8)9-4-5-15-14-9/h1-4,6,14H,5H2
InChIKeyLAWJARJVEXWDAK-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Phenyloxazine
CID 53643691
3-phenyl-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
CID 5056306
N-[1-(2-fluoro-5-methylphenyl)ethenyl]hydroxylamine
CID 23394254
1-phenyl-N-(2,2,2-trifluoroethoxy)methanamine
CID 53803007
1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methoxyethenamine
CID 56974312
N-methoxy-1-[3-(trifluoromethyl)phenyl]ethenamine
CID 56978932
3,3,3-trifluoro-1-(4-fluorophenyl)-N-methoxyprop-1-en-1-amine
CID 57025597
1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methoxyethenamine
CID 57046147
1-(2,4-difluorophenyl)-N-methoxyethenamine
CID 57050334
1-(3,4-difluorophenyl)-N-methoxyethenamine
CID 57058181
1-(2-fluorophenyl)-N-methoxyethenamine
CID 57082075
1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methoxyethenamine
CID 57099402

Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole?
The IUPAC name of 3-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole (CID 123323469) is 3-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole is FC(F)(F)c1cccc(C2=CCON2)c1.
What is the InChIKey of 3-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole?
The InChIKey is LAWJARJVEXWDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO/c11-10(12,13)8-3-1-2-7(6-8)9-4-5-15-14-9/h1-4,6,14H,5H2.
What are the key properties of 3-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole?
3-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole has a molecular weight of 215.17 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 123323469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).