ethyl (2S,4S)-2-[(1S,2S)-2-azido-1-hydroxy-3-phenylpropyl]-4-phenyl-1,3-oxazolidine-3-carboxylate

C21H24N4O4 — CID 10620767

IUPACethyl (2S,4S)-2-[(1S,2S)-2-azido-1-hydroxy-3-phenylpropyl]-4-phenyl-1,3-oxazolidine-3-carboxylate
SMILESCCOC(=O)N1[C@@H](c2ccccc2)CO[C@H]1[C@@H](O)[C@H](Cc1ccccc1)N=[N+]=[N-]
InChIInChI=1S/C21H24N4O4/c1-2-28-21(27)25-18(16-11-7-4-8-12-16)14-29-20(25)19(26)17(23-24-22)13-15-9-5-3-6-10-15/h3-12,17-20,26H,2,13-14H2,1H3/t17-,18+,19-,20-/m0/s1
InChIKeyBTDBDMJYHDSGTM-YRPNKDGESA-N
MW396.45 g/mol
LogP3.83
Rot. Bonds7

About ethyl (2S,4S)-2-[(1S,2S)-2-azido-1-hydroxy-3-phenylpropyl]-4-phenyl-1,3-oxazolidine-3-carboxylate

ethyl (2S,4S)-2-[(1S,2S)-2-azido-1-hydroxy-3-phenylpropyl]-4-phenyl-1,3-oxazolidine-3-carboxylate (PubChem CID 10620767) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is ethyl (2S,4S)-2-[(1S,2S)-2-azido-1-hydroxy-3-phenylpropyl]-4-phenyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (2S,4S)-2-[(1S,2S)-2-azido-1-hydroxy-3-phenylpropyl]-4-phenyl-1,3-oxazolidine-3-carboxylate
PubChem CID10620767
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Nameethyl (2S,4S)-2-[(1S,2S)-2-azido-1-hydroxy-3-phenylpropyl]-4-phenyl-1,3-oxazolidine-3-carboxylate
SMILESCCOC(=O)N1[C@@H](c2ccccc2)CO[C@H]1[C@@H](O)[C@H](Cc1ccccc1)N=[N+]=[N-]
InChIInChI=1S/C21H24N4O4/c1-2-28-21(27)25-18(16-11-7-4-8-12-16)14-29-20(25)19(26)17(23-24-22)13-15-9-5-3-6-10-15/h3-12,17-20,26H,2,13-14H2,1H3/t17-,18+,19-,20-/m0/s1
InChIKeyBTDBDMJYHDSGTM-YRPNKDGESA-N
XLogP3.83
TPSA107.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 ethyl (2S,4S)-2-[(1S,2S)-2-azido-1-hydroxy-3-phenylpropyl]-4-phenyl-1,3-oxazolidine-3-carboxylate 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

ethyl (2R,4R)-2-[(1R)-1-hydroxy-2-methylpropyl]-4-phenyl-1,3-oxazolidine-3-carboxylate
CID 11077224
benzyl (2R,4R)-4-phenyl-2-tributylstannyl-1,3-oxazolidine-3-carboxylate
CID 11330588
ethyl (7R,9R)-7,9-diphenyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate
CID 71613650
ethyl 3-oxo-3-[(2R,4R)-4-phenyl-2-[(2R,3S)-3-phenyloxiran-2-yl]-1,3-oxazolidin-3-yl]propanoate
CID 11058025
ethyl 2-[(3S,5S,7aR)-3-phenyl-2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazol-5-yl]acetate
CID 10731104
(2-azido-3,3-difluoropropyl)benzene
CID 151138482
benzyl 6-(1-azidoethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 154998654
ethyl (2R,3R)-2-azido-3-hydroxy-5-phenylpentanoate
CID 58706122
ethyl (7S,9S)-9-methyl-7-phenyl-1,4-dithia-8-azaspiro[4.5]decane-8-carboxylate
CID 71614429
benzyl (3R)-3-(4-bromophenyl)-5-(2-ethoxy-2-oxoethyl)morpholine-4-carboxylate
CID 122428171
tert-butyl (2R,4R)-2-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybut-2-enyl]-4-phenyl-1,3-oxazolidine-3-carboxylate
CID 15445289
benzyl 7-(2-ethoxy-2-oxoethyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171937213

Frequently Asked Questions

What is the IUPAC name of ethyl (2S,4S)-2-[(1S,2S)-2-azido-1-hydroxy-3-phenylpropyl]-4-phenyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of ethyl (2S,4S)-2-[(1S,2S)-2-azido-1-hydroxy-3-phenylpropyl]-4-phenyl-1,3-oxazolidine-3-carboxylate (CID 10620767) is ethyl (2S,4S)-2-[(1S,2S)-2-azido-1-hydroxy-3-phenylpropyl]-4-phenyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for ethyl (2S,4S)-2-[(1S,2S)-2-azido-1-hydroxy-3-phenylpropyl]-4-phenyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for ethyl (2S,4S)-2-[(1S,2S)-2-azido-1-hydroxy-3-phenylpropyl]-4-phenyl-1,3-oxazolidine-3-carboxylate is CCOC(=O)N1[C@@H](c2ccccc2)CO[C@H]1[C@@H](O)[C@H](Cc1ccccc1)N=[N+]=[N-].
What is the InChIKey of ethyl (2S,4S)-2-[(1S,2S)-2-azido-1-hydroxy-3-phenylpropyl]-4-phenyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is BTDBDMJYHDSGTM-YRPNKDGESA-N. The full InChI is InChI=1S/C21H24N4O4/c1-2-28-21(27)25-18(16-11-7-4-8-12-16)14-29-20(25)19(26)17(23-24-22)13-15-9-5-3-6-10-15/h3-12,17-20,26H,2,13-14H2,1H3/t17-,18+,19-,20-/m0/s1.
What are the key properties of ethyl (2S,4S)-2-[(1S,2S)-2-azido-1-hydroxy-3-phenylpropyl]-4-phenyl-1,3-oxazolidine-3-carboxylate?
ethyl (2S,4S)-2-[(1S,2S)-2-azido-1-hydroxy-3-phenylpropyl]-4-phenyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 396.45 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,4S)-2-[(1S,2S)-2-azido-1-hydroxy-3-phenylpropyl]-4-phenyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 10620767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).