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

C17H11F6NO — CID 146025892

IUPAC(4R)-4-[3,5-bis(trifluoromethyl)phenyl]-2-phenyl-4,5-dihydro-1,3-oxazole
SMILESFC(F)(F)c1cc([C@@H]2COC(c3ccccc3)=N2)cc(C(F)(F)F)c1
InChIInChI=1S/C17H11F6NO/c18-16(19,20)12-6-11(7-13(8-12)17(21,22)23)14-9-25-15(24-14)10-4-2-1-3-5-10/h1-8,14H,9H2/t14-/m0/s1
InChIKeyPUKSQSUWDWQMOO-AWEZNQCLSA-N
MW359.27 g/mol
LogP5.24
Rot. Bonds2

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

(4R)-4-[3,5-bis(trifluoromethyl)phenyl]-2-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 146025892) has the molecular formula C17H11F6NO and a molecular weight of 359.27 g/mol. Its IUPAC name is (4R)-4-[3,5-bis(trifluoromethyl)phenyl]-2-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-4-[3,5-bis(trifluoromethyl)phenyl]-2-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID146025892
Molecular FormulaC17H11F6NO
Molecular Weight359.27 g/mol
Exact Mass359.07
IUPAC Name(4R)-4-[3,5-bis(trifluoromethyl)phenyl]-2-phenyl-4,5-dihydro-1,3-oxazole
SMILESFC(F)(F)c1cc([C@@H]2COC(c3ccccc3)=N2)cc(C(F)(F)F)c1
InChIInChI=1S/C17H11F6NO/c18-16(19,20)12-6-11(7-13(8-12)17(21,22)23)14-9-25-15(24-14)10-4-2-1-3-5-10/h1-8,14H,9H2/t14-/m0/s1
InChIKeyPUKSQSUWDWQMOO-AWEZNQCLSA-N
XLogP5.24
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.27
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,5-Bis-trifluoromethyl-benzyloxy)-1-phenyl-ethylamine
CID 19968650
(S)-2-(3,5-Bis-trifluoromethyl-benzyloxy)-1-phenyl-ethylamine
CID 22859115
4,5-Dihydro-2-[3-(trifluoromethyl)phenyl]-oxazole
CID 67984069
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
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
(4S)-4-benzyl-2-(3-methylphenyl)-4,5-dihydro-1,3-oxazole
CID 17756895
2-(3,5-Bis-trifluoromethyl-benzyloxy)-1-phenyl-propylamine(Diastereomer A)
CID 10339539

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3,5-bis(trifluoromethyl)phenyl]-2-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-4-[3,5-bis(trifluoromethyl)phenyl]-2-phenyl-4,5-dihydro-1,3-oxazole (CID 146025892) is (4R)-4-[3,5-bis(trifluoromethyl)phenyl]-2-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R)-4-[3,5-bis(trifluoromethyl)phenyl]-2-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-4-[3,5-bis(trifluoromethyl)phenyl]-2-phenyl-4,5-dihydro-1,3-oxazole is FC(F)(F)c1cc([C@@H]2COC(c3ccccc3)=N2)cc(C(F)(F)F)c1.
What is the InChIKey of (4R)-4-[3,5-bis(trifluoromethyl)phenyl]-2-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is PUKSQSUWDWQMOO-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H11F6NO/c18-16(19,20)12-6-11(7-13(8-12)17(21,22)23)14-9-25-15(24-14)10-4-2-1-3-5-10/h1-8,14H,9H2/t14-/m0/s1.
What are the key properties of (4R)-4-[3,5-bis(trifluoromethyl)phenyl]-2-phenyl-4,5-dihydro-1,3-oxazole?
(4R)-4-[3,5-bis(trifluoromethyl)phenyl]-2-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 359.27 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[3,5-bis(trifluoromethyl)phenyl]-2-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 146025892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).