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

C16H15NO4 — CID 135013277

IUPAC(4R)-3-[(5R)-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C1C[C@@H]2C=CC(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-XOEAPDPESA-N
MW285.30 g/mol
LogP1.84
Rot. Bonds2

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

(4R)-3-[(5R)-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 135013277) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is (4R)-3-[(5R)-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-[(5R)-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID135013277
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name(4R)-3-[(5R)-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C1C[C@@H]2C=CC(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-XOEAPDPESA-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'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(5R)-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-[(5R)-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-4-phenyl-1,3-oxazolidin-2-one (CID 135013277) is (4R)-3-[(5R)-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-[(5R)-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-[(5R)-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-4-phenyl-1,3-oxazolidin-2-one is O=C1C[C@@H]2C=CC(O2)C1N1C(=O)OC[C@H]1c1ccccc1.
What is the InChIKey of (4R)-3-[(5R)-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is JSUMEYOPOWOKIG-XOEAPDPESA-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-[(5R)-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-4-phenyl-1,3-oxazolidin-2-one?
(4R)-3-[(5R)-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-[(5R)-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 135013277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).