(4R)-2-phenyl-4-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole

C11H10F3NO — CID 146025922

IUPAC(4R)-2-phenyl-4-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole
SMILESFC(F)(F)C[C@@H]1COC(c2ccccc2)=N1
InChIInChI=1S/C11H10F3NO/c12-11(13,14)6-9-7-16-10(15-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2/t9-/m1/s1
InChIKeyBSXBHPGPUHSQOF-SECBINFHSA-N
MW229.20 g/mol
LogP2.78
Rot. Bonds2

About (4R)-2-phenyl-4-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole

(4R)-2-phenyl-4-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole (PubChem CID 146025922) has the molecular formula C11H10F3NO and a molecular weight of 229.20 g/mol. Its IUPAC name is (4R)-2-phenyl-4-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-2-phenyl-4-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole
PubChem CID146025922
Molecular FormulaC11H10F3NO
Molecular Weight229.20 g/mol
Exact Mass229.07
IUPAC Name(4R)-2-phenyl-4-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole
SMILESFC(F)(F)C[C@@H]1COC(c2ccccc2)=N1
InChIInChI=1S/C11H10F3NO/c12-11(13,14)6-9-7-16-10(15-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2/t9-/m1/s1
InChIKeyBSXBHPGPUHSQOF-SECBINFHSA-N
XLogP2.78
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Phenyl-2-oxazoline
CID 244030
Oxazole, 2,2'-(1,3-phenylene)bis[4,5-dihydro-
CID 604269
4,4-Bis(hydroxymethyl)-2-phenyl-2-oxazoline
CID 254960
4,4-Dimethyl-2-phenyl-2-oxazoline
CID 289239
2-Phenyl-5,6-dihydro-4H-1,3-oxazine
CID 293673
(4-Methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methanol
CID 226853
4-Methyl-2-phenyl-2-oxazoline-5-one
CID 495826
2,2'-(1,4-Phenylene)bis(4,5-dihydrooxazole)
CID 81929
4,4-Dimethyl-2-(2-(methylseleno)phenyl)-2-oxazoline
CID 3517846
4,5-Dihydro-2-[3-(trifluoromethyl)phenyl]-oxazole
CID 67984069
(4S)-2-(3-methylphenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole
CID 17756809
Oxazole, 2-(4-fluorophenyl)-4,5-dihydro-4,4-dimethyl-
CID 156132

Frequently Asked Questions

What is the IUPAC name of (4R)-2-phenyl-4-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-2-phenyl-4-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole (CID 146025922) is (4R)-2-phenyl-4-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R)-2-phenyl-4-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-2-phenyl-4-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole is FC(F)(F)C[C@@H]1COC(c2ccccc2)=N1.
What is the InChIKey of (4R)-2-phenyl-4-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is BSXBHPGPUHSQOF-SECBINFHSA-N. The full InChI is InChI=1S/C11H10F3NO/c12-11(13,14)6-9-7-16-10(15-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2/t9-/m1/s1.
What are the key properties of (4R)-2-phenyl-4-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole?
(4R)-2-phenyl-4-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 229.20 g/mol, XLogP of 2.78, 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-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 146025922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).