[(4R,5S)-2-oxo-4-(4-phenylphenyl)-1,3-oxazolidin-5-yl] acetate

C17H15NO4 — CID 11208708

IUPAC[(4R,5S)-2-oxo-4-(4-phenylphenyl)-1,3-oxazolidin-5-yl] acetate
SMILESCC(=O)O[C@H]1OC(=O)N[C@@H]1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H15NO4/c1-11(19)21-16-15(18-17(20)22-16)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10,15-16H,1H3,(H,18,20)/t15-,16+/m1/s1
InChIKeyDDWLCQWKPJZFIX-CVEARBPZSA-N
MW297.31 g/mol
LogP3.02
Rot. Bonds3

About [(4R,5S)-2-oxo-4-(4-phenylphenyl)-1,3-oxazolidin-5-yl] acetate

[(4R,5S)-2-oxo-4-(4-phenylphenyl)-1,3-oxazolidin-5-yl] acetate (PubChem CID 11208708) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is [(4R,5S)-2-oxo-4-(4-phenylphenyl)-1,3-oxazolidin-5-yl] acetate.

Molecular Properties

Compound Name[(4R,5S)-2-oxo-4-(4-phenylphenyl)-1,3-oxazolidin-5-yl] acetate
PubChem CID11208708
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name[(4R,5S)-2-oxo-4-(4-phenylphenyl)-1,3-oxazolidin-5-yl] acetate
SMILESCC(=O)O[C@H]1OC(=O)N[C@@H]1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H15NO4/c1-11(19)21-16-15(18-17(20)22-16)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10,15-16H,1H3,(H,18,20)/t15-,16+/m1/s1
InChIKeyDDWLCQWKPJZFIX-CVEARBPZSA-N
XLogP3.02
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(4R,5S)-2-oxo-4-(4-phenylphenyl)-1,3-oxazolidin-5-yl] acetate?
The IUPAC name of [(4R,5S)-2-oxo-4-(4-phenylphenyl)-1,3-oxazolidin-5-yl] acetate (CID 11208708) is [(4R,5S)-2-oxo-4-(4-phenylphenyl)-1,3-oxazolidin-5-yl] acetate.
What is the SMILES notation for [(4R,5S)-2-oxo-4-(4-phenylphenyl)-1,3-oxazolidin-5-yl] acetate?
The canonical SMILES for [(4R,5S)-2-oxo-4-(4-phenylphenyl)-1,3-oxazolidin-5-yl] acetate is CC(=O)O[C@H]1OC(=O)N[C@@H]1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of [(4R,5S)-2-oxo-4-(4-phenylphenyl)-1,3-oxazolidin-5-yl] acetate?
The InChIKey is DDWLCQWKPJZFIX-CVEARBPZSA-N. The full InChI is InChI=1S/C17H15NO4/c1-11(19)21-16-15(18-17(20)22-16)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10,15-16H,1H3,(H,18,20)/t15-,16+/m1/s1.
What are the key properties of [(4R,5S)-2-oxo-4-(4-phenylphenyl)-1,3-oxazolidin-5-yl] acetate?
[(4R,5S)-2-oxo-4-(4-phenylphenyl)-1,3-oxazolidin-5-yl] acetate has a molecular weight of 297.31 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5S)-2-oxo-4-(4-phenylphenyl)-1,3-oxazolidin-5-yl] acetate is sourced from PubChem (CID 11208708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).