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

C10H8F3NO — CID 67984069

IUPAC2-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESFC(F)(F)c1cccc(C2=NCCO2)c1
InChIInChI=1S/C10H8F3NO/c11-10(12,13)8-3-1-2-7(6-8)9-14-4-5-15-9/h1-3,6H,4-5H2
InChIKeyOMLULWXGBJGVNQ-UHFFFAOYSA-N
MW215.17 g/mol
LogP2.48
Rot. Bonds1

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

2-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 67984069) has the molecular formula C10H8F3NO and a molecular weight of 215.17 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID67984069
Molecular FormulaC10H8F3NO
Molecular Weight215.17 g/mol
Exact Mass215.06
IUPAC Name2-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESFC(F)(F)c1cccc(C2=NCCO2)c1
InChIInChI=1S/C10H8F3NO/c11-10(12,13)8-3-1-2-7(6-8)9-14-4-5-15-9/h1-3,6H,4-5H2
InChIKeyOMLULWXGBJGVNQ-UHFFFAOYSA-N
XLogP2.48
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4,5-dihydro-1,3-oxazol-2-yl)phenol
CID 139059691
N-[4-(4,5-dihydro-1,3-oxazol-2-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2,6-difluorobenzamide
CID 59004529
2-[2-methyl-6-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole
CID 102031804
1-[2-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]ethyl]cyclopropan-1-amine
CID 105488447
1-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]propan-2-one
CID 84671437
1-[5-(4,5-dihydro-1,3-oxazol-2-yl)isoindol-2-yl]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]hexan-1-one
CID 69143861
4-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-imidazole
CID 57077686
2-[4-[3-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]phenoxy]phenyl]-4,5-dihydro-1,3-oxazole
CID 139743368
6-[3-(trifluoromethyl)phenyl]-1,2,4,5-tetrazin-3-amine
CID 12535593
6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ol
CID 58484062
8-bromo-2-[3-(trifluoromethyl)phenyl]-4H-pyrido[4,3-d][1,3]oxazine
CID 90695721
2-[3-(trifluoromethyl)phenyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-amine
CID 115066299

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole (CID 67984069) is 2-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole is FC(F)(F)c1cccc(C2=NCCO2)c1.
What is the InChIKey of 2-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is OMLULWXGBJGVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO/c11-10(12,13)8-3-1-2-7(6-8)9-14-4-5-15-9/h1-3,6H,4-5H2.
What are the key properties of 2-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole?
2-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 215.17 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 67984069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).