benzyl 2-(2,3-dihydro-1H-inden-1-ylimino)-1,3-oxazolidine-3-carboxylate

C20H20N2O3 — CID 25096154

IUPACbenzyl 2-(2,3-dihydro-1H-inden-1-ylimino)-1,3-oxazolidine-3-carboxylate
SMILESO=C(OCc1ccccc1)N1CCO/C1=N\C1CCc2ccccc21
InChIInChI=1S/C20H20N2O3/c23-20(25-14-15-6-2-1-3-7-15)22-12-13-24-19(22)21-18-11-10-16-8-4-5-9-17(16)18/h1-9,18H,10-14H2/b21-19-
InChIKeyJPENQBPGDMRDSW-VZCXRCSSSA-N
MW336.39 g/mol
LogP3.70
Rot. Bonds3

About benzyl 2-(2,3-dihydro-1H-inden-1-ylimino)-1,3-oxazolidine-3-carboxylate

benzyl 2-(2,3-dihydro-1H-inden-1-ylimino)-1,3-oxazolidine-3-carboxylate (PubChem CID 25096154) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is benzyl 2-(2,3-dihydro-1H-inden-1-ylimino)-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namebenzyl 2-(2,3-dihydro-1H-inden-1-ylimino)-1,3-oxazolidine-3-carboxylate
PubChem CID25096154
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Namebenzyl 2-(2,3-dihydro-1H-inden-1-ylimino)-1,3-oxazolidine-3-carboxylate
SMILESO=C(OCc1ccccc1)N1CCO/C1=N\C1CCc2ccccc21
InChIInChI=1S/C20H20N2O3/c23-20(25-14-15-6-2-1-3-7-15)22-12-13-24-19(22)21-18-11-10-16-8-4-5-9-17(16)18/h1-9,18H,10-14H2/b21-19-
InChIKeyJPENQBPGDMRDSW-VZCXRCSSSA-N
XLogP3.70
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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2-(2-phenylmethoxycarbonyl-1,2-oxazolidin-5-yl)acetic acid
CID 177425598
benzyl (4R)-4-methyl-2-oxopiperidine-1-carboxylate
CID 22872591
benzyl 1-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 70019599
benzyl (1S,5S)-3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
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(3S)-2-oxo-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of benzyl 2-(2,3-dihydro-1H-inden-1-ylimino)-1,3-oxazolidine-3-carboxylate?
The IUPAC name of benzyl 2-(2,3-dihydro-1H-inden-1-ylimino)-1,3-oxazolidine-3-carboxylate (CID 25096154) is benzyl 2-(2,3-dihydro-1H-inden-1-ylimino)-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for benzyl 2-(2,3-dihydro-1H-inden-1-ylimino)-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for benzyl 2-(2,3-dihydro-1H-inden-1-ylimino)-1,3-oxazolidine-3-carboxylate is O=C(OCc1ccccc1)N1CCO/C1=N\C1CCc2ccccc21.
What is the InChIKey of benzyl 2-(2,3-dihydro-1H-inden-1-ylimino)-1,3-oxazolidine-3-carboxylate?
The InChIKey is JPENQBPGDMRDSW-VZCXRCSSSA-N. The full InChI is InChI=1S/C20H20N2O3/c23-20(25-14-15-6-2-1-3-7-15)22-12-13-24-19(22)21-18-11-10-16-8-4-5-9-17(16)18/h1-9,18H,10-14H2/b21-19-.
What are the key properties of benzyl 2-(2,3-dihydro-1H-inden-1-ylimino)-1,3-oxazolidine-3-carboxylate?
benzyl 2-(2,3-dihydro-1H-inden-1-ylimino)-1,3-oxazolidine-3-carboxylate has a molecular weight of 336.39 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(2,3-dihydro-1H-inden-1-ylimino)-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 25096154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).