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

C12H12F3NO — CID 151280962

IUPAC4-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1,3-oxazole
SMILESFC(F)(F)c1ccc(CCC2COC=N2)cc1
InChIInChI=1S/C12H12F3NO/c13-12(14,15)10-4-1-9(2-5-10)3-6-11-7-17-8-16-11/h1-2,4-5,8,11H,3,6-7H2
InChIKeyNYJBBAHAWAOGPX-UHFFFAOYSA-N
MW243.23 g/mol
LogP3.07
Rot. Bonds3

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

4-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1,3-oxazole (PubChem CID 151280962) has the molecular formula C12H12F3NO and a molecular weight of 243.23 g/mol. Its IUPAC name is 4-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1,3-oxazole
PubChem CID151280962
Molecular FormulaC12H12F3NO
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name4-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1,3-oxazole
SMILESFC(F)(F)c1ccc(CCC2COC=N2)cc1
InChIInChI=1S/C12H12F3NO/c13-12(14,15)10-4-1-9(2-5-10)3-6-11-7-17-8-16-11/h1-2,4-5,8,11H,3,6-7H2
InChIKeyNYJBBAHAWAOGPX-UHFFFAOYSA-N
XLogP3.07
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-cyclopropylethyl)-4-(trifluoromethyl)benzene
CID 160836362
N-[1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]-4-[2-[(4S)-4,5-dihydro-1,3-oxazol-4-yl]ethyl]aniline
CID 141327901
6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexane
CID 69404406
(4S)-4-[2-[4-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 56967914
1-[2-(4-methylcyclohexyl)ethyl]-4-[4-(trifluoromethyl)phenyl]benzene
CID 22886828
(4S)-4-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59323625
3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 167080885
1-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene
CID 20686233
N-[2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropanamine
CID 62114541
3-[4-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]cyclohexyl]cyclohexyl]propanal
CID 21459472
1,3-dichloro-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
CID 66734283
7-[[4-(trifluoromethyl)phenyl]methoxy]bicyclo[2.2.1]hept-2-ene
CID 101131304

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1,3-oxazole (CID 151280962) is 4-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1,3-oxazole is FC(F)(F)c1ccc(CCC2COC=N2)cc1.
What is the InChIKey of 4-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is NYJBBAHAWAOGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO/c13-12(14,15)10-4-1-9(2-5-10)3-6-11-7-17-8-16-11/h1-2,4-5,8,11H,3,6-7H2.
What are the key properties of 4-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1,3-oxazole?
4-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 243.23 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 151280962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).