(4R)-3-[(1S)-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-4-phenyl-1,3-oxazolidin-2-one

C16H15NO4 — CID 135013276

IUPAC(4R)-3-[(1S)-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C1CC2C=C[C@H](O2)C1N1C(=O)OC[C@H]1c1ccccc1
InChIInChI=1S/C16H15NO4/c18-13-8-11-6-7-14(21-11)15(13)17-12(9-20-16(17)19)10-4-2-1-3-5-10/h1-7,11-12,14-15H,8-9H2/t11?,12-,14-,15?/m0/s1
InChIKeyJSUMEYOPOWOKIG-PBOMKEBTSA-N
MW285.30 g/mol
LogP1.84
Rot. Bonds2

About (4R)-3-[(1S)-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-4-phenyl-1,3-oxazolidin-2-one

(4R)-3-[(1S)-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 135013276) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is (4R)-3-[(1S)-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[(1S)-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID135013276
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name(4R)-3-[(1S)-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C1CC2C=C[C@H](O2)C1N1C(=O)OC[C@H]1c1ccccc1
InChIInChI=1S/C16H15NO4/c18-13-8-11-6-7-14(21-11)15(13)17-12(9-20-16(17)19)10-4-2-1-3-5-10/h1-7,11-12,14-15H,8-9H2/t11?,12-,14-,15?/m0/s1
InChIKeyJSUMEYOPOWOKIG-PBOMKEBTSA-N
XLogP1.84
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4R)-3-[(1S)-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-4-phenyl-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

Benzyl (2R,4R)-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate
CID 10566995
(2S,4S)-3-Benzyloxycarbonyl-4-methyl-2-phenyl-1,3-oxazolidin-5-one
CID 10638764
benzyl (2S,4R)-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate
CID 10757398
(4-fluorophenyl)methyl (4R,5S)-3-benzyl-2-oxo-5-propyl-1,3-oxazolidine-4-carboxylate
CID 139935189
(4-fluorophenyl)methyl (4R,5S)-3-benzyl-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylate
CID 139935241
benzyl (4R,5S)-4-acetyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 11335290
(4R)-3-[(1R,5S,8R)-6-oxo-11-oxatricyclo[6.2.1.01,5]undec-9-en-5-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 12076131
(4R,5S)-1,5-dimethyl-3-[(1R,2S,5R)-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-4-phenylimidazolidin-2-one
CID 16082326
tert-butyl (1R,2S,5R)-3-oxo-2-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate
CID 16120344
methyl (1R,2S,5R)-7-methyl-3-oxo-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-8-oxabicyclo[3.2.1]oct-6-ene-1-carboxylate
CID 71600487
(4S,5R)-1-[(1S,2R,5S)-1,7-dimethyl-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 71600617
(4S,5R)-1-[(1S,2R,5S)-5,6-dimethyl-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 71600618

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(1S)-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[(1S)-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-4-phenyl-1,3-oxazolidin-2-one (CID 135013276) is (4R)-3-[(1S)-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[(1S)-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[(1S)-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-4-phenyl-1,3-oxazolidin-2-one is O=C1CC2C=C[C@H](O2)C1N1C(=O)OC[C@H]1c1ccccc1.
What is the InChIKey of (4R)-3-[(1S)-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is JSUMEYOPOWOKIG-PBOMKEBTSA-N. The full InChI is InChI=1S/C16H15NO4/c18-13-8-11-6-7-14(21-11)15(13)17-12(9-20-16(17)19)10-4-2-1-3-5-10/h1-7,11-12,14-15H,8-9H2/t11?,12-,14-,15?/m0/s1.
What are the key properties of (4R)-3-[(1S)-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-4-phenyl-1,3-oxazolidin-2-one?
(4R)-3-[(1S)-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 285.30 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(1S)-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 135013276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).