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

C16H12F3NO — CID 146025896

IUPAC(4R)-2-phenyl-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESFC(F)(F)c1ccccc1[C@@H]1COC(c2ccccc2)=N1
InChIInChI=1S/C16H12F3NO/c17-16(18,19)13-9-5-4-8-12(13)14-10-21-15(20-14)11-6-2-1-3-7-11/h1-9,14H,10H2/t14-/m0/s1
InChIKeyMQRRYSNNGQUWRO-AWEZNQCLSA-N
MW291.27 g/mol
LogP4.22
Rot. Bonds2

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

(4R)-2-phenyl-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 146025896) has the molecular formula C16H12F3NO and a molecular weight of 291.27 g/mol. Its IUPAC name is (4R)-2-phenyl-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-2-phenyl-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID146025896
Molecular FormulaC16H12F3NO
Molecular Weight291.27 g/mol
Exact Mass291.09
IUPAC Name(4R)-2-phenyl-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESFC(F)(F)c1ccccc1[C@@H]1COC(c2ccccc2)=N1
InChIInChI=1S/C16H12F3NO/c17-16(18,19)13-9-5-4-8-12(13)14-10-21-15(20-14)11-6-2-1-3-7-11/h1-9,14H,10H2/t14-/m0/s1
InChIKeyMQRRYSNNGQUWRO-AWEZNQCLSA-N
XLogP4.22
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-Diphenyl-1,3-oxazoline
CID 10889524
4-(4-Tert-butylphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 14853220
2-(2,6-Difluorophenyl)-4-(4-octylphenyl)-4,5-dihydro-1,3-oxazole
CID 15007761
2-(2,6-Difluorophenyl)-4-(4-n-decylphenyl)-2-oxazoline
CID 15007772
2-(2,6-Difluorophenyl)-4-(4-ethylphenyl)-4,5-dihydro-1,3-oxazole
CID 76334202
7-Methoxy-5H-dibenz(c,E)azepine
CID 375835
2-(3-Methylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 9547842
2-(2,6-Difluorophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 44414791
(5R)-2,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 10911168
(4S)-4-benzyl-2-(3-methylphenyl)-4,5-dihydro-1,3-oxazole
CID 17756895
2-(2,6-Difluorophenyl)-4-(4-hexylphenyl)-4,5-dihydro-1,3-oxazole
CID 14853231
2-(2,6-Difluorophenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 14853251

Frequently Asked Questions

What is the IUPAC name of (4R)-2-phenyl-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-2-phenyl-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole (CID 146025896) is (4R)-2-phenyl-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R)-2-phenyl-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-2-phenyl-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole is FC(F)(F)c1ccccc1[C@@H]1COC(c2ccccc2)=N1.
What is the InChIKey of (4R)-2-phenyl-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is MQRRYSNNGQUWRO-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H12F3NO/c17-16(18,19)13-9-5-4-8-12(13)14-10-21-15(20-14)11-6-2-1-3-7-11/h1-9,14H,10H2/t14-/m0/s1.
What are the key properties of (4R)-2-phenyl-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole?
(4R)-2-phenyl-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 291.27 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-phenyl-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 146025896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).