(4R)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,3-oxazolidin-2-one

C16H12F3NO2 — CID 171184662

IUPAC(4R)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CO1
InChIInChI=1S/C16H12F3NO2/c17-16(18,19)13-7-5-11(6-8-13)10-1-3-12(4-2-10)14-9-22-15(21)20-14/h1-8,14H,9H2,(H,20,21)/t14-/m0/s1
InChIKeyCBRXVTUYTANGHX-AWEZNQCLSA-N
MW307.27 g/mol
LogP4.15
Rot. Bonds2

About (4R)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,3-oxazolidin-2-one

(4R)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 171184662) has the molecular formula C16H12F3NO2 and a molecular weight of 307.27 g/mol. Its IUPAC name is (4R)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,3-oxazolidin-2-one
PubChem CID171184662
Molecular FormulaC16H12F3NO2
Molecular Weight307.27 g/mol
Exact Mass307.08
IUPAC Name(4R)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CO1
InChIInChI=1S/C16H12F3NO2/c17-16(18,19)13-7-5-11(6-8-13)10-1-3-12(4-2-10)14-9-22-15(21)20-14/h1-8,14H,9H2,(H,20,21)/t14-/m0/s1
InChIKeyCBRXVTUYTANGHX-AWEZNQCLSA-N
XLogP4.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 124509749
(4S)-4-[3,5-bis(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;hydrochloride
CID 171183721
(4R)-4-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184269
(4S)-4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 171184055
(4R)-4-phenyl-1,3-oxazolidin-2-one;hydrochloride
CID 171184730
(4S)-4-[3-methoxy-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 171183951
(4R)-4-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one
CID 170782739
(4R)-4-(4-nitrophenyl)-1,3-oxazolidin-2-one
CID 12065059
4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-1,3-oxazolidin-2-one
CID 170343835
(4R)-4-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184265
(4R)-4-(4-phenoxyphenyl)-1,3-oxazolidin-2-one
CID 171184568
4-(3,4-dihydroxyphenyl)-1,3-oxazolidin-2-one
CID 130144619

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,3-oxazolidin-2-one (CID 171184662) is (4R)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,3-oxazolidin-2-one is O=C1N[C@H](c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CO1.
What is the InChIKey of (4R)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is CBRXVTUYTANGHX-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H12F3NO2/c17-16(18,19)13-7-5-11(6-8-13)10-1-3-12(4-2-10)14-9-22-15(21)20-14/h1-8,14H,9H2,(H,20,21)/t14-/m0/s1.
What are the key properties of (4R)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,3-oxazolidin-2-one?
(4R)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 307.27 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 171184662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).