(4R)-2-phenyl-4-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-one

C19H16F3NO2 — CID 171341337

IUPAC(4R)-2-phenyl-4-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-one
SMILESCC(C)[C@]1(c2ccc(C(F)(F)F)cc2)N=C(c2ccccc2)OC1=O
InChIInChI=1S/C19H16F3NO2/c1-12(2)18(14-8-10-15(11-9-14)19(20,21)22)17(24)25-16(23-18)13-6-4-3-5-7-13/h3-12H,1-2H3/t18-/m1/s1
InChIKeyYOAYQEVLAICYFT-GOSISDBHSA-N
MW347.34 g/mol
LogP4.56
Rot. Bonds3

About (4R)-2-phenyl-4-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-one

(4R)-2-phenyl-4-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-one (PubChem CID 171341337) has the molecular formula C19H16F3NO2 and a molecular weight of 347.34 g/mol. Its IUPAC name is (4R)-2-phenyl-4-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4R)-2-phenyl-4-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-one
PubChem CID171341337
Molecular FormulaC19H16F3NO2
Molecular Weight347.34 g/mol
Exact Mass347.11
IUPAC Name(4R)-2-phenyl-4-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-one
SMILESCC(C)[C@]1(c2ccc(C(F)(F)F)cc2)N=C(c2ccccc2)OC1=O
InChIInChI=1S/C19H16F3NO2/c1-12(2)18(14-8-10-15(11-9-14)19(20,21)22)17(24)25-16(23-18)13-6-4-3-5-7-13/h3-12H,1-2H3/t18-/m1/s1
InChIKeyYOAYQEVLAICYFT-GOSISDBHSA-N
XLogP4.56
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-Diphenyl-1,3-oxazol-5(4h)-one
CID 223025
(1R,3R)-1,5-Diphenyl-6-oxa-4-aza-spiro[2.4]hept-4-en-7-one
CID 12331930
2,4,4-Triphenyl-2-oxazolin-5-one
CID 680472
1-(4-Methylphenyl)-5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one
CID 467563
4-Benzyl-4-methyl-2-phenyl-1,3-oxazol-5-one
CID 54091008
(4R)-4-[(4-fluorophenyl)methyl]-4-methyl-2-phenyl-1,3-oxazol-5-one
CID 57407427
(4S)-4-methyl-2-phenyl-4-[(1R)-1-[4-(trifluoromethyl)phenyl]prop-2-enyl]-1,3-oxazol-5-one
CID 101537590
tert-butyl (4R)-4-benzyl-2-(2-fluorophenyl)-5H-1,3-oxazole-4-carboxylate
CID 102573357
(4S)-4-[(1R)-1-(4-fluorophenyl)prop-2-enyl]-4-methyl-2-phenyl-1,3-oxazol-5-one
CID 102582088
2-Phenyl-4-benzyl-5,5-bis-(trifluoromethyl)oxazoline-4-carboxylic acid
CID 129804342
4-benzyl-2-(4-fluorophenyl)-4H-1,3-oxazol-5-one
CID 132969724
tert-butyl (4S)-2-phenyl-4-[[4-(trifluoromethyl)phenyl]methyl]-5H-1,3-oxazole-4-carboxylate
CID 135054166

Frequently Asked Questions

What is the IUPAC name of (4R)-2-phenyl-4-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-one?
The IUPAC name of (4R)-2-phenyl-4-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-one (CID 171341337) is (4R)-2-phenyl-4-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-one.
What is the SMILES notation for (4R)-2-phenyl-4-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-one?
The canonical SMILES for (4R)-2-phenyl-4-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-one is CC(C)[C@]1(c2ccc(C(F)(F)F)cc2)N=C(c2ccccc2)OC1=O.
What is the InChIKey of (4R)-2-phenyl-4-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-one?
The InChIKey is YOAYQEVLAICYFT-GOSISDBHSA-N. The full InChI is InChI=1S/C19H16F3NO2/c1-12(2)18(14-8-10-15(11-9-14)19(20,21)22)17(24)25-16(23-18)13-6-4-3-5-7-13/h3-12H,1-2H3/t18-/m1/s1.
What are the key properties of (4R)-2-phenyl-4-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-one?
(4R)-2-phenyl-4-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-one has a molecular weight of 347.34 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-phenyl-4-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-one is sourced from PubChem (CID 171341337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).