(4R)-3-[(1S,5S)-6-methyl-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-4-phenyl-1,3-oxazolidin-2-one

C17H17NO4 — CID 135066606

IUPAC(4R)-3-[(1S,5S)-6-methyl-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCC1=C[C@@H]2O[C@H]1CC(=O)C2N1C(=O)OC[C@H]1c1ccccc1
InChIInChI=1S/C17H17NO4/c1-10-7-15-16(13(19)8-14(10)22-15)18-12(9-21-17(18)20)11-5-3-2-4-6-11/h2-7,12,14-16H,8-9H2,1H3/t12-,14-,15-,16?/m0/s1
InChIKeyLMTNETVOYZAFOA-UGEFFSKSSA-N
MW299.33 g/mol
LogP2.23
Rot. Bonds2

About (4R)-3-[(1S,5S)-6-methyl-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-4-phenyl-1,3-oxazolidin-2-one

(4R)-3-[(1S,5S)-6-methyl-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 135066606) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is (4R)-3-[(1S,5S)-6-methyl-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,5S)-6-methyl-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID135066606
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name(4R)-3-[(1S,5S)-6-methyl-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCC1=C[C@@H]2O[C@H]1CC(=O)C2N1C(=O)OC[C@H]1c1ccccc1
InChIInChI=1S/C17H17NO4/c1-10-7-15-16(13(19)8-14(10)22-15)18-12(9-21-17(18)20)11-5-3-2-4-6-11/h2-7,12,14-16H,8-9H2,1H3/t12-,14-,15-,16?/m0/s1
InChIKeyLMTNETVOYZAFOA-UGEFFSKSSA-N
XLogP2.23
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4R)-3-[(1S,5S)-6-methyl-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-4-phenyl-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(4S)-3-[(2R,3S)-1-methyl-2-(2-methylpropyl)-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 23251083
(2R,5R,6S)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2-phenyl-6-propyl-1,3-oxazinan-4-one
CID 101130998
3-[(2S)-6-(4-fluorophenyl)oxan-2-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 66933021
(4S)-3-[4-(aminomethyl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one
CID 143706107
(2R,5R,6R)-6-(4-methoxyphenyl)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2-phenyl-1,3-oxazinan-4-one
CID 101131007
(5S,10bR)-10-hydroxy-5-phenyl-1,5,6,10b-tetrahydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one
CID 102344135
(4S)-3-butyl-4-phenyl-1,3-oxazolidin-2-one
CID 134941159
(4R)-3-[[2-[[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]methyl]-4-phenyl-1,3-oxazolidin-2-one
CID 138601240
1,5-dimethyl-3-(3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl)-4-phenylimidazolidin-2-one
CID 73236404
(4S)-3-[(2S,3S)-1-benzyl-2-(hydroxymethyl)-2-methyl-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 10761399
(4S)-3-(2-oxoethenyl)-4-phenyl-1,3-oxazolidin-2-one
CID 10420408
(3S,7S,7aR)-7-methyl-3-phenyl-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-one
CID 10443341

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(1S,5S)-6-methyl-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,5S)-6-methyl-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-4-phenyl-1,3-oxazolidin-2-one (CID 135066606) is (4R)-3-[(1S,5S)-6-methyl-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,5S)-6-methyl-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,5S)-6-methyl-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-4-phenyl-1,3-oxazolidin-2-one is CC1=C[C@@H]2O[C@H]1CC(=O)C2N1C(=O)OC[C@H]1c1ccccc1.
What is the InChIKey of (4R)-3-[(1S,5S)-6-methyl-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is LMTNETVOYZAFOA-UGEFFSKSSA-N. The full InChI is InChI=1S/C17H17NO4/c1-10-7-15-16(13(19)8-14(10)22-15)18-12(9-21-17(18)20)11-5-3-2-4-6-11/h2-7,12,14-16H,8-9H2,1H3/t12-,14-,15-,16?/m0/s1.
What are the key properties of (4R)-3-[(1S,5S)-6-methyl-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-4-phenyl-1,3-oxazolidin-2-one?
(4R)-3-[(1S,5S)-6-methyl-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 299.33 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(1S,5S)-6-methyl-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 135066606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).