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

C19H21NO2 — CID 58426099

IUPAC(3R,4R)-2,4-dibenzyl-3,4-dimethyl-1,2-oxazolidin-5-one
SMILESC[C@H]1N(Cc2ccccc2)OC(=O)[C@]1(C)Cc1ccccc1
InChIInChI=1S/C19H21NO2/c1-15-19(2,13-16-9-5-3-6-10-16)18(21)22-20(15)14-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3/t15-,19-/m1/s1
InChIKeyCMBNDNIGGAZFST-DNVCBOLYSA-N
MW295.38 g/mol
LogP3.60
Rot. Bonds4

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

(3R,4R)-2,4-dibenzyl-3,4-dimethyl-1,2-oxazolidin-5-one (PubChem CID 58426099) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (3R,4R)-2,4-dibenzyl-3,4-dimethyl-1,2-oxazolidin-5-one.

Molecular Properties

Compound Name(3R,4R)-2,4-dibenzyl-3,4-dimethyl-1,2-oxazolidin-5-one
PubChem CID58426099
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(3R,4R)-2,4-dibenzyl-3,4-dimethyl-1,2-oxazolidin-5-one
SMILESC[C@H]1N(Cc2ccccc2)OC(=O)[C@]1(C)Cc1ccccc1
InChIInChI=1S/C19H21NO2/c1-15-19(2,13-16-9-5-3-6-10-16)18(21)22-20(15)14-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3/t15-,19-/m1/s1
InChIKeyCMBNDNIGGAZFST-DNVCBOLYSA-N
XLogP3.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-2,4-dibenzyl-3,4-dimethyl-1,2-oxazolidin-5-one?
The IUPAC name of (3R,4R)-2,4-dibenzyl-3,4-dimethyl-1,2-oxazolidin-5-one (CID 58426099) is (3R,4R)-2,4-dibenzyl-3,4-dimethyl-1,2-oxazolidin-5-one.
What is the SMILES notation for (3R,4R)-2,4-dibenzyl-3,4-dimethyl-1,2-oxazolidin-5-one?
The canonical SMILES for (3R,4R)-2,4-dibenzyl-3,4-dimethyl-1,2-oxazolidin-5-one is C[C@H]1N(Cc2ccccc2)OC(=O)[C@]1(C)Cc1ccccc1.
What is the InChIKey of (3R,4R)-2,4-dibenzyl-3,4-dimethyl-1,2-oxazolidin-5-one?
The InChIKey is CMBNDNIGGAZFST-DNVCBOLYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-15-19(2,13-16-9-5-3-6-10-16)18(21)22-20(15)14-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3/t15-,19-/m1/s1.
What are the key properties of (3R,4R)-2,4-dibenzyl-3,4-dimethyl-1,2-oxazolidin-5-one?
(3R,4R)-2,4-dibenzyl-3,4-dimethyl-1,2-oxazolidin-5-one has a molecular weight of 295.38 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-2,4-dibenzyl-3,4-dimethyl-1,2-oxazolidin-5-one is sourced from PubChem (CID 58426099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).