(4S,5S)-3-(2-methoxy-2-phenylacetyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one

C19H19NO4 — CID 67746268

IUPAC(4S,5S)-3-(2-methoxy-2-phenylacetyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one
SMILESCOC(C(=O)N1C(=O)O[C@@H](c2ccccc2)[C@@H]1C)c1ccccc1
InChIInChI=1S/C19H19NO4/c1-13-16(14-9-5-3-6-10-14)24-19(22)20(13)18(21)17(23-2)15-11-7-4-8-12-15/h3-13,16-17H,1-2H3/t13-,16+,17?/m0/s1
InChIKeyPOLMHBDLMCSTKT-XVMZJDAESA-N
MW325.36 g/mol
LogP3.48
Rot. Bonds4

About (4S,5S)-3-(2-methoxy-2-phenylacetyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one

(4S,5S)-3-(2-methoxy-2-phenylacetyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 67746268) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is (4S,5S)-3-(2-methoxy-2-phenylacetyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-3-(2-methoxy-2-phenylacetyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one
PubChem CID67746268
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name(4S,5S)-3-(2-methoxy-2-phenylacetyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one
SMILESCOC(C(=O)N1C(=O)O[C@@H](c2ccccc2)[C@@H]1C)c1ccccc1
InChIInChI=1S/C19H19NO4/c1-13-16(14-9-5-3-6-10-14)24-19(22)20(13)18(21)17(23-2)15-11-7-4-8-12-15/h3-13,16-17H,1-2H3/t13-,16+,17?/m0/s1
InChIKeyPOLMHBDLMCSTKT-XVMZJDAESA-N
XLogP3.48
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-3-(2-methoxy-2-phenylacetyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5S)-3-(2-methoxy-2-phenylacetyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one (CID 67746268) is (4S,5S)-3-(2-methoxy-2-phenylacetyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5S)-3-(2-methoxy-2-phenylacetyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5S)-3-(2-methoxy-2-phenylacetyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one is COC(C(=O)N1C(=O)O[C@@H](c2ccccc2)[C@@H]1C)c1ccccc1.
What is the InChIKey of (4S,5S)-3-(2-methoxy-2-phenylacetyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is POLMHBDLMCSTKT-XVMZJDAESA-N. The full InChI is InChI=1S/C19H19NO4/c1-13-16(14-9-5-3-6-10-14)24-19(22)20(13)18(21)17(23-2)15-11-7-4-8-12-15/h3-13,16-17H,1-2H3/t13-,16+,17?/m0/s1.
What are the key properties of (4S,5S)-3-(2-methoxy-2-phenylacetyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
(4S,5S)-3-(2-methoxy-2-phenylacetyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 325.36 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-3-(2-methoxy-2-phenylacetyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 67746268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).