(4S)-3,4-dibenzyl-1,3-oxazolidine-2,5-dione

C17H15NO3 — CID 170762067

IUPAC(4S)-3,4-dibenzyl-1,3-oxazolidine-2,5-dione
SMILESO=C1OC(=O)N(Cc2ccccc2)[C@H]1Cc1ccccc1
InChIInChI=1S/C17H15NO3/c19-16-15(11-13-7-3-1-4-8-13)18(17(20)21-16)12-14-9-5-2-6-10-14/h1-10,15H,11-12H2/t15-/m0/s1
InChIKeyWVWQTANJFUGUAR-HNNXBMFYSA-N
MW281.31 g/mol
LogP2.78
Rot. Bonds4

About (4S)-3,4-dibenzyl-1,3-oxazolidine-2,5-dione

(4S)-3,4-dibenzyl-1,3-oxazolidine-2,5-dione (PubChem CID 170762067) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is (4S)-3,4-dibenzyl-1,3-oxazolidine-2,5-dione.

Molecular Properties

Compound Name(4S)-3,4-dibenzyl-1,3-oxazolidine-2,5-dione
PubChem CID170762067
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name(4S)-3,4-dibenzyl-1,3-oxazolidine-2,5-dione
SMILESO=C1OC(=O)N(Cc2ccccc2)[C@H]1Cc1ccccc1
InChIInChI=1S/C17H15NO3/c19-16-15(11-13-7-3-1-4-8-13)18(17(20)21-16)12-14-9-5-2-6-10-14/h1-10,15H,11-12H2/t15-/m0/s1
InChIKeyWVWQTANJFUGUAR-HNNXBMFYSA-N
XLogP2.78
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-benzyl-4-ethyl-1,3-oxazolidine-2,5-dione
CID 142410731
(5E)-3,4-dibenzyl-5-benzylidene-1,3-oxazolidin-2-one
CID 177447043
3-benzyl-4-cyclopropyl-1,3-oxazolidine-2,5-dione
CID 11020718
(4R)-4-benzyl-3-methyl-2-methylidene-1,3-oxazolidin-5-one
CID 158048514
3-benzyl-4-bromo-3H-1,4-benzoxazin-2-one
CID 175073053
(4S,5S)-3-benzyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 11086728
benzyl 4-[(4-bromophenyl)methyl]-2,5-dioxo-1,3-oxazolidine-3-carboxylate
CID 102378636
(4R,5R)-3-benzyl-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one
CID 146267205
(4S)-1,3-dibenzyl-4-phenylazetidin-2-one
CID 58632784
1-benzyl-7-methylsulfanyl-4a,5,6,7,8,8a-hexahydropyrimido[4,5-d][1,3]oxazine-2,4-dione
CID 75273640
(3aR,6aS)-1,3-dibenzyl-3a,6a-dihydrofuro[3,4-c][1,2,5]oxadiazole-4,6-dione
CID 88671759
(4R)-3-benzyl-4,5,5-triphenyl-1,3-oxazolidin-2-one
CID 10763812

Frequently Asked Questions

What is the IUPAC name of (4S)-3,4-dibenzyl-1,3-oxazolidine-2,5-dione?
The IUPAC name of (4S)-3,4-dibenzyl-1,3-oxazolidine-2,5-dione (CID 170762067) is (4S)-3,4-dibenzyl-1,3-oxazolidine-2,5-dione.
What is the SMILES notation for (4S)-3,4-dibenzyl-1,3-oxazolidine-2,5-dione?
The canonical SMILES for (4S)-3,4-dibenzyl-1,3-oxazolidine-2,5-dione is O=C1OC(=O)N(Cc2ccccc2)[C@H]1Cc1ccccc1.
What is the InChIKey of (4S)-3,4-dibenzyl-1,3-oxazolidine-2,5-dione?
The InChIKey is WVWQTANJFUGUAR-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H15NO3/c19-16-15(11-13-7-3-1-4-8-13)18(17(20)21-16)12-14-9-5-2-6-10-14/h1-10,15H,11-12H2/t15-/m0/s1.
What are the key properties of (4S)-3,4-dibenzyl-1,3-oxazolidine-2,5-dione?
(4S)-3,4-dibenzyl-1,3-oxazolidine-2,5-dione has a molecular weight of 281.31 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3,4-dibenzyl-1,3-oxazolidine-2,5-dione is sourced from PubChem (CID 170762067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).