ethyl (4R)-4-phenyl-2-[(2R,3R)-3-[(E)-prop-1-enyl]oxiran-2-yl]-1,3-oxazolidine-3-carboxylate

C17H21NO4 — CID 134907845

IUPACethyl (4R)-4-phenyl-2-[(2R,3R)-3-[(E)-prop-1-enyl]oxiran-2-yl]-1,3-oxazolidine-3-carboxylate
SMILESC/C=C/[C@H]1O[C@H]1C1OC[C@@H](c2ccccc2)N1C(=O)OCC
InChIInChI=1S/C17H21NO4/c1-3-8-14-15(22-14)16-18(17(19)20-4-2)13(11-21-16)12-9-6-5-7-10-12/h3,5-10,13-16H,4,11H2,1-2H3/b8-3+/t13-,14+,15+,16?/m0/s1
InChIKeyQCSUEKJKPOPCGP-ASDBKXHHSA-N
MW303.36 g/mol
LogP2.89
Rot. Bonds4

About ethyl (4R)-4-phenyl-2-[(2R,3R)-3-[(E)-prop-1-enyl]oxiran-2-yl]-1,3-oxazolidine-3-carboxylate

ethyl (4R)-4-phenyl-2-[(2R,3R)-3-[(E)-prop-1-enyl]oxiran-2-yl]-1,3-oxazolidine-3-carboxylate (PubChem CID 134907845) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is ethyl (4R)-4-phenyl-2-[(2R,3R)-3-[(E)-prop-1-enyl]oxiran-2-yl]-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (4R)-4-phenyl-2-[(2R,3R)-3-[(E)-prop-1-enyl]oxiran-2-yl]-1,3-oxazolidine-3-carboxylate
PubChem CID134907845
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Nameethyl (4R)-4-phenyl-2-[(2R,3R)-3-[(E)-prop-1-enyl]oxiran-2-yl]-1,3-oxazolidine-3-carboxylate
SMILESC/C=C/[C@H]1O[C@H]1C1OC[C@@H](c2ccccc2)N1C(=O)OCC
InChIInChI=1S/C17H21NO4/c1-3-8-14-15(22-14)16-18(17(19)20-4-2)13(11-21-16)12-9-6-5-7-10-12/h3,5-10,13-16H,4,11H2,1-2H3/b8-3+/t13-,14+,15+,16?/m0/s1
InChIKeyQCSUEKJKPOPCGP-ASDBKXHHSA-N
XLogP2.89
TPSA51.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze ethyl (4R)-4-phenyl-2-[(2R,3R)-3-[(E)-prop-1-enyl]oxiran-2-yl]-1,3-oxazolidine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

(4S)-3-methyl-4-phenyl-1,3-oxazolidin-2-one
CID 2755645
(r)-3-Methyl-4-phenyloxazolidin-2-one
CID 11052193
2-Oxazolidinone, 5-phenyl-3-(phenylmethyl)-
CID 11368793
(5R,6S)-7-(tert-Butoxycarbonyl)-6-phenyl-7-aza-1-oxa-spiro[4.5]dec-3-ene
CID 11404273
5-Phenyl-3-propan-2-yl-1,3-oxazolidin-2-one
CID 21589865
tert-butyl (4S)-2,2-dimethyl-4-[(1R)-1-phenylmethoxyprop-2-enyl]-1,3-oxazolidine-3-carboxylate
CID 44185331
tert-Butyl (4R,5R)-4-(hydroxymethyl)-2,2-dimethyl-5-phenyloxazolidine-3-carboxylate
CID 58420330
(4S)-3-ethyl-4-phenyl-1,3-oxazolidin-2-one
CID 60001424
3-Ethyl-4-phenyloxazolidin-2-one
CID 72619042
tert-butyl (4S)-2,2-dimethyl-4-[(1R)-1-phenylmethoxybut-3-enyl]-1,3-oxazolidine-3-carboxylate
CID 134834979
Tert-butyl 2-phenyl-1,3-oxazolidine-3-carboxylate
CID 134948054
(5R)-3-benzyl-4-methyl-5-phenylmethoxy-1,3-oxazinan-2-one
CID 390834

Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-4-phenyl-2-[(2R,3R)-3-[(E)-prop-1-enyl]oxiran-2-yl]-1,3-oxazolidine-3-carboxylate?
The IUPAC name of ethyl (4R)-4-phenyl-2-[(2R,3R)-3-[(E)-prop-1-enyl]oxiran-2-yl]-1,3-oxazolidine-3-carboxylate (CID 134907845) is ethyl (4R)-4-phenyl-2-[(2R,3R)-3-[(E)-prop-1-enyl]oxiran-2-yl]-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for ethyl (4R)-4-phenyl-2-[(2R,3R)-3-[(E)-prop-1-enyl]oxiran-2-yl]-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for ethyl (4R)-4-phenyl-2-[(2R,3R)-3-[(E)-prop-1-enyl]oxiran-2-yl]-1,3-oxazolidine-3-carboxylate is C/C=C/[C@H]1O[C@H]1C1OC[C@@H](c2ccccc2)N1C(=O)OCC.
What is the InChIKey of ethyl (4R)-4-phenyl-2-[(2R,3R)-3-[(E)-prop-1-enyl]oxiran-2-yl]-1,3-oxazolidine-3-carboxylate?
The InChIKey is QCSUEKJKPOPCGP-ASDBKXHHSA-N. The full InChI is InChI=1S/C17H21NO4/c1-3-8-14-15(22-14)16-18(17(19)20-4-2)13(11-21-16)12-9-6-5-7-10-12/h3,5-10,13-16H,4,11H2,1-2H3/b8-3+/t13-,14+,15+,16?/m0/s1.
What are the key properties of ethyl (4R)-4-phenyl-2-[(2R,3R)-3-[(E)-prop-1-enyl]oxiran-2-yl]-1,3-oxazolidine-3-carboxylate?
ethyl (4R)-4-phenyl-2-[(2R,3R)-3-[(E)-prop-1-enyl]oxiran-2-yl]-1,3-oxazolidine-3-carboxylate has a molecular weight of 303.36 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R)-4-phenyl-2-[(2R,3R)-3-[(E)-prop-1-enyl]oxiran-2-yl]-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 134907845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).