(4R,5S)-3-[(5R,9R)-7-oxo-1-oxaspiro[4.4]nonan-9-yl]-4,5-diphenyl-1,3-oxazolidin-2-one

C23H23NO4 — CID 10499820

IUPAC(4R,5S)-3-[(5R,9R)-7-oxo-1-oxaspiro[4.4]nonan-9-yl]-4,5-diphenyl-1,3-oxazolidin-2-one
SMILESO=C1C[C@@H](N2C(=O)O[C@@H](c3ccccc3)[C@H]2c2ccccc2)[C@@]2(CCCO2)C1
InChIInChI=1S/C23H23NO4/c25-18-14-19(23(15-18)12-7-13-27-23)24-20(16-8-3-1-4-9-16)21(28-22(24)26)17-10-5-2-6-11-17/h1-6,8-11,19-21H,7,12-15H2/t19-,20-,21+,23-/m1/s1
InChIKeyRDPZQKODWHEOHA-CUDBPUKSSA-N
MW377.44 g/mol
LogP4.20
Rot. Bonds3

About (4R,5S)-3-[(5R,9R)-7-oxo-1-oxaspiro[4.4]nonan-9-yl]-4,5-diphenyl-1,3-oxazolidin-2-one

(4R,5S)-3-[(5R,9R)-7-oxo-1-oxaspiro[4.4]nonan-9-yl]-4,5-diphenyl-1,3-oxazolidin-2-one (PubChem CID 10499820) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is (4R,5S)-3-[(5R,9R)-7-oxo-1-oxaspiro[4.4]nonan-9-yl]-4,5-diphenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-3-[(5R,9R)-7-oxo-1-oxaspiro[4.4]nonan-9-yl]-4,5-diphenyl-1,3-oxazolidin-2-one
PubChem CID10499820
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC Name(4R,5S)-3-[(5R,9R)-7-oxo-1-oxaspiro[4.4]nonan-9-yl]-4,5-diphenyl-1,3-oxazolidin-2-one
SMILESO=C1C[C@@H](N2C(=O)O[C@@H](c3ccccc3)[C@H]2c2ccccc2)[C@@]2(CCCO2)C1
InChIInChI=1S/C23H23NO4/c25-18-14-19(23(15-18)12-7-13-27-23)24-20(16-8-3-1-4-9-16)21(28-22(24)26)17-10-5-2-6-11-17/h1-6,8-11,19-21H,7,12-15H2/t19-,20-,21+,23-/m1/s1
InChIKeyRDPZQKODWHEOHA-CUDBPUKSSA-N
XLogP4.20
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-3-[(5R,9R)-7-oxo-1-oxaspiro[4.4]nonan-9-yl]-4,5-diphenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-3-[(5R,9R)-7-oxo-1-oxaspiro[4.4]nonan-9-yl]-4,5-diphenyl-1,3-oxazolidin-2-one (CID 10499820) is (4R,5S)-3-[(5R,9R)-7-oxo-1-oxaspiro[4.4]nonan-9-yl]-4,5-diphenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-3-[(5R,9R)-7-oxo-1-oxaspiro[4.4]nonan-9-yl]-4,5-diphenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-3-[(5R,9R)-7-oxo-1-oxaspiro[4.4]nonan-9-yl]-4,5-diphenyl-1,3-oxazolidin-2-one is O=C1C[C@@H](N2C(=O)O[C@@H](c3ccccc3)[C@H]2c2ccccc2)[C@@]2(CCCO2)C1.
What is the InChIKey of (4R,5S)-3-[(5R,9R)-7-oxo-1-oxaspiro[4.4]nonan-9-yl]-4,5-diphenyl-1,3-oxazolidin-2-one?
The InChIKey is RDPZQKODWHEOHA-CUDBPUKSSA-N. The full InChI is InChI=1S/C23H23NO4/c25-18-14-19(23(15-18)12-7-13-27-23)24-20(16-8-3-1-4-9-16)21(28-22(24)26)17-10-5-2-6-11-17/h1-6,8-11,19-21H,7,12-15H2/t19-,20-,21+,23-/m1/s1.
What are the key properties of (4R,5S)-3-[(5R,9R)-7-oxo-1-oxaspiro[4.4]nonan-9-yl]-4,5-diphenyl-1,3-oxazolidin-2-one?
(4R,5S)-3-[(5R,9R)-7-oxo-1-oxaspiro[4.4]nonan-9-yl]-4,5-diphenyl-1,3-oxazolidin-2-one has a molecular weight of 377.44 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-3-[(5R,9R)-7-oxo-1-oxaspiro[4.4]nonan-9-yl]-4,5-diphenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10499820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).