(4S)-3-[(1S)-3-oxo-5-oxaspiro[3.5]nonan-1-yl]-4-phenyl-1,3-oxazolidin-2-one

C17H19NO4 — CID 134878947

IUPAC(4S)-3-[(1S)-3-oxo-5-oxaspiro[3.5]nonan-1-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](c2ccccc2)N1[C@H]1CC(=O)C12CCCCO2
InChIInChI=1S/C17H19NO4/c19-15-10-14(17(15)8-4-5-9-22-17)18-13(11-21-16(18)20)12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2/t13-,14+,17?/m1/s1
InChIKeyCMBMNHAXHOHCHW-LICQEQMYSA-N
MW301.34 g/mol
LogP2.46
Rot. Bonds2

About (4S)-3-[(1S)-3-oxo-5-oxaspiro[3.5]nonan-1-yl]-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-[(1S)-3-oxo-5-oxaspiro[3.5]nonan-1-yl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 134878947) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is (4S)-3-[(1S)-3-oxo-5-oxaspiro[3.5]nonan-1-yl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(1S)-3-oxo-5-oxaspiro[3.5]nonan-1-yl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID134878947
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name(4S)-3-[(1S)-3-oxo-5-oxaspiro[3.5]nonan-1-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](c2ccccc2)N1[C@H]1CC(=O)C12CCCCO2
InChIInChI=1S/C17H19NO4/c19-15-10-14(17(15)8-4-5-9-22-17)18-13(11-21-16(18)20)12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2/t13-,14+,17?/m1/s1
InChIKeyCMBMNHAXHOHCHW-LICQEQMYSA-N
XLogP2.46
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(1S)-3-oxo-5-oxaspiro[3.5]nonan-1-yl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(1S)-3-oxo-5-oxaspiro[3.5]nonan-1-yl]-4-phenyl-1,3-oxazolidin-2-one (CID 134878947) is (4S)-3-[(1S)-3-oxo-5-oxaspiro[3.5]nonan-1-yl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(1S)-3-oxo-5-oxaspiro[3.5]nonan-1-yl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(1S)-3-oxo-5-oxaspiro[3.5]nonan-1-yl]-4-phenyl-1,3-oxazolidin-2-one is O=C1OC[C@H](c2ccccc2)N1[C@H]1CC(=O)C12CCCCO2.
What is the InChIKey of (4S)-3-[(1S)-3-oxo-5-oxaspiro[3.5]nonan-1-yl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is CMBMNHAXHOHCHW-LICQEQMYSA-N. The full InChI is InChI=1S/C17H19NO4/c19-15-10-14(17(15)8-4-5-9-22-17)18-13(11-21-16(18)20)12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2/t13-,14+,17?/m1/s1.
What are the key properties of (4S)-3-[(1S)-3-oxo-5-oxaspiro[3.5]nonan-1-yl]-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[(1S)-3-oxo-5-oxaspiro[3.5]nonan-1-yl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 301.34 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(1S)-3-oxo-5-oxaspiro[3.5]nonan-1-yl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 134878947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).