4-(2-azidoethyl)-3-benzyl-1,3-oxazolidin-2-one

C12H14N4O2 — CID 53344302

IUPAC4-(2-azidoethyl)-3-benzyl-1,3-oxazolidin-2-one
SMILES[N-]=[N+]=NCCC1COC(=O)N1Cc1ccccc1
InChIInChI=1S/C12H14N4O2/c13-15-14-7-6-11-9-18-12(17)16(11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKeyUTCUOQQTQPOSDZ-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.71
Rot. Bonds5

About 4-(2-azidoethyl)-3-benzyl-1,3-oxazolidin-2-one

4-(2-azidoethyl)-3-benzyl-1,3-oxazolidin-2-one (PubChem CID 53344302) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-(2-azidoethyl)-3-benzyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(2-azidoethyl)-3-benzyl-1,3-oxazolidin-2-one
PubChem CID53344302
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name4-(2-azidoethyl)-3-benzyl-1,3-oxazolidin-2-one
SMILES[N-]=[N+]=NCCC1COC(=O)N1Cc1ccccc1
InChIInChI=1S/C12H14N4O2/c13-15-14-7-6-11-9-18-12(17)16(11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKeyUTCUOQQTQPOSDZ-UHFFFAOYSA-N
XLogP2.71
TPSA78.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 4-(2-azidoethyl)-3-benzyl-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

2-[3-[(3-chlorophenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]acetic acid
CID 115060184
4-(2-aminoethyl)-3-[(4-hydroxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 115060240
4-(2-aminoethyl)-3-[(4-bromophenyl)methyl]-1,3-oxazolidin-2-one
CID 115060239
4-(2-aminoethyl)-3-benzyl-1,3-oxazinan-2-one
CID 117010904
3-[3-[(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]propanoic acid
CID 115060258
5-(azidomethyl)-1-benzyl-4,5-dihydroimidazol-2-amine
CID 79505950
(4S)-3-benzyl-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851402
4-(aminomethyl)-3-[(4-chlorophenyl)methyl]-1,3-oxazolidin-2-one
CID 115060232
2-[3-[(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]acetic acid
CID 115060253
4-(2-aminoethyl)-3-[(2-hydroxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 115060206
(2R)-2-[(4S)-3-benzyl-2-oxo-1,3-oxazolidin-4-yl]propanal
CID 90414373
(4S)-4-benzyl-3-propyl-1,3-oxazolidin-2-one
CID 155294169

Frequently Asked Questions

What is the IUPAC name of 4-(2-azidoethyl)-3-benzyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-(2-azidoethyl)-3-benzyl-1,3-oxazolidin-2-one (CID 53344302) is 4-(2-azidoethyl)-3-benzyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(2-azidoethyl)-3-benzyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(2-azidoethyl)-3-benzyl-1,3-oxazolidin-2-one is [N-]=[N+]=NCCC1COC(=O)N1Cc1ccccc1.
What is the InChIKey of 4-(2-azidoethyl)-3-benzyl-1,3-oxazolidin-2-one?
The InChIKey is UTCUOQQTQPOSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c13-15-14-7-6-11-9-18-12(17)16(11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2.
What are the key properties of 4-(2-azidoethyl)-3-benzyl-1,3-oxazolidin-2-one?
4-(2-azidoethyl)-3-benzyl-1,3-oxazolidin-2-one has a molecular weight of 246.27 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azidoethyl)-3-benzyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 53344302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).