(4R)-4-benzyl-5,5-dideuterio-1,3-oxazolidin-2-one

C10H11NO2 — CID 102157327

IUPAC(4R)-4-benzyl-5,5-dideuterio-1,3-oxazolidin-2-one
SMILES[2H]C1([2H])OC(=O)N[C@@H]1Cc1ccccc1
InChIInChI=1S/C10H11NO2/c12-10-11-9(7-13-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12)/t9-/m1/s1/i7D2
InChIKeyOJOFMLDBXPDXLQ-VJQDKCMBSA-N
MW179.22 g/mol
LogP1.34
Rot. Bonds2

About (4R)-4-benzyl-5,5-dideuterio-1,3-oxazolidin-2-one

(4R)-4-benzyl-5,5-dideuterio-1,3-oxazolidin-2-one (PubChem CID 102157327) has the molecular formula C10H11NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is (4R)-4-benzyl-5,5-dideuterio-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-5,5-dideuterio-1,3-oxazolidin-2-one
PubChem CID102157327
Molecular FormulaC10H11NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name(4R)-4-benzyl-5,5-dideuterio-1,3-oxazolidin-2-one
SMILES[2H]C1([2H])OC(=O)N[C@@H]1Cc1ccccc1
InChIInChI=1S/C10H11NO2/c12-10-11-9(7-13-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12)/t9-/m1/s1/i7D2
InChIKeyOJOFMLDBXPDXLQ-VJQDKCMBSA-N
XLogP1.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4R)-4-benzyl-5,5-dideuterio-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

lithium (4S)-4-benzyl-1,3-oxazolidin-2-one
CID 21353540
4-[(4-phenylphenyl)methyl]-1,3-oxazolidin-2-one
CID 170381802
4-[(4-bromophenyl)methyl]-1,3-oxazinan-2-one
CID 91375071
(5R)-5-benzylpyrrolidin-2-one
CID 740530
(3S,6Z)-3-benzyl-3,4-dihydro-2H-1,4-oxazocine-5,8-dione
CID 102189345
4-[(4-iodophenyl)methyl]-1,3-oxazolidin-2-one
CID 175523266
2-benzyl-1,2,3,4-tetrahydroazepin-7-one
CID 18800636
(3R)-3-benzyl-3,4-dihydro-2H-1,4-benzoxazine
CID 11195468
5-benzyl-3-trimethylsilylpyrrolidin-2-one
CID 3024936
(4S)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one;ethane
CID 143785043
4-benzyl-1,3-oxazolidine
CID 22719793
(4R)-4-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 10398104

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-5,5-dideuterio-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-5,5-dideuterio-1,3-oxazolidin-2-one (CID 102157327) is (4R)-4-benzyl-5,5-dideuterio-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-5,5-dideuterio-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-5,5-dideuterio-1,3-oxazolidin-2-one is [2H]C1([2H])OC(=O)N[C@@H]1Cc1ccccc1.
What is the InChIKey of (4R)-4-benzyl-5,5-dideuterio-1,3-oxazolidin-2-one?
The InChIKey is OJOFMLDBXPDXLQ-VJQDKCMBSA-N. The full InChI is InChI=1S/C10H11NO2/c12-10-11-9(7-13-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12)/t9-/m1/s1/i7D2.
What are the key properties of (4R)-4-benzyl-5,5-dideuterio-1,3-oxazolidin-2-one?
(4R)-4-benzyl-5,5-dideuterio-1,3-oxazolidin-2-one has a molecular weight of 179.22 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-5,5-dideuterio-1,3-oxazolidin-2-one is sourced from PubChem (CID 102157327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).