(4R,5S)-3,4-dibenzyl-5-(trifluoromethyl)-1,3-oxazolidin-2-one

C18H16F3NO2 — CID 100998255

IUPAC(4R,5S)-3,4-dibenzyl-5-(trifluoromethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@H](C(F)(F)F)[C@@H](Cc2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C18H16F3NO2/c19-18(20,21)16-15(11-13-7-3-1-4-8-13)22(17(23)24-16)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2/t15-,16+/m1/s1
InChIKeyZKVHQOVTJHFNIQ-CVEARBPZSA-N
MW335.32 g/mol
LogP4.18
Rot. Bonds4

About (4R,5S)-3,4-dibenzyl-5-(trifluoromethyl)-1,3-oxazolidin-2-one

(4R,5S)-3,4-dibenzyl-5-(trifluoromethyl)-1,3-oxazolidin-2-one (PubChem CID 100998255) has the molecular formula C18H16F3NO2 and a molecular weight of 335.32 g/mol. Its IUPAC name is (4R,5S)-3,4-dibenzyl-5-(trifluoromethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-3,4-dibenzyl-5-(trifluoromethyl)-1,3-oxazolidin-2-one
PubChem CID100998255
Molecular FormulaC18H16F3NO2
Molecular Weight335.32 g/mol
Exact Mass335.11
IUPAC Name(4R,5S)-3,4-dibenzyl-5-(trifluoromethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@H](C(F)(F)F)[C@@H](Cc2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C18H16F3NO2/c19-18(20,21)16-15(11-13-7-3-1-4-8-13)22(17(23)24-16)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2/t15-,16+/m1/s1
InChIKeyZKVHQOVTJHFNIQ-CVEARBPZSA-N
XLogP4.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Benzyl-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one
CID 3872332
(R)-3-((4''-fluorobiphenyl-4-yl)methyl)-5-methyloxazolidin-2-one
CID 25173697
(R)-3-(biphenyl-4-ylmethyl)-5-methyloxazolidin-2-one
CID 25173776
(R)-3-((2''-fluorobiphenyl-4-yl)methyl)-5-methyloxazolidin-2-one
CID 44591713
(R)-3-((3''-fluorobiphenyl-4-yl)methyl)-5-methyloxazolidin-2-one
CID 44591714
(5R)-3-[[4-(2,4-difluorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
CID 44591773
(4R)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134136675
3-[4-[Benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134150074
(4S)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134157470
5-(4-Benzhydryl-piperazin-1-ylmethyl)-3-isopropyl-oxazolidin-2-one
CID 76072440
3-Allyl-5-(4-benzhydryl-piperazin-1-ylmethyl)-oxazolidin-2-one
CID 76072441
(5R)-3-[[4-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
CID 44591812

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-3,4-dibenzyl-5-(trifluoromethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-3,4-dibenzyl-5-(trifluoromethyl)-1,3-oxazolidin-2-one (CID 100998255) is (4R,5S)-3,4-dibenzyl-5-(trifluoromethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-3,4-dibenzyl-5-(trifluoromethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-3,4-dibenzyl-5-(trifluoromethyl)-1,3-oxazolidin-2-one is O=C1O[C@H](C(F)(F)F)[C@@H](Cc2ccccc2)N1Cc1ccccc1.
What is the InChIKey of (4R,5S)-3,4-dibenzyl-5-(trifluoromethyl)-1,3-oxazolidin-2-one?
The InChIKey is ZKVHQOVTJHFNIQ-CVEARBPZSA-N. The full InChI is InChI=1S/C18H16F3NO2/c19-18(20,21)16-15(11-13-7-3-1-4-8-13)22(17(23)24-16)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2/t15-,16+/m1/s1.
What are the key properties of (4R,5S)-3,4-dibenzyl-5-(trifluoromethyl)-1,3-oxazolidin-2-one?
(4R,5S)-3,4-dibenzyl-5-(trifluoromethyl)-1,3-oxazolidin-2-one has a molecular weight of 335.32 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-3,4-dibenzyl-5-(trifluoromethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 100998255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).