(3S,4R)-2-benzyl-4-methyl-3-phenyl-1,2-oxazolidin-5-one

C17H17NO2 — CID 11402901

IUPAC(3S,4R)-2-benzyl-4-methyl-3-phenyl-1,2-oxazolidin-5-one
SMILESC[C@H]1C(=O)ON(Cc2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C17H17NO2/c1-13-16(15-10-6-3-7-11-15)18(20-17(13)19)12-14-8-4-2-5-9-14/h2-11,13,16H,12H2,1H3/t13-,16+/m1/s1
InChIKeyGOXDUNZFDGBOKM-CJNGLKHVSA-N
MW267.33 g/mol
LogP3.34
Rot. Bonds3

About (3S,4R)-2-benzyl-4-methyl-3-phenyl-1,2-oxazolidin-5-one

(3S,4R)-2-benzyl-4-methyl-3-phenyl-1,2-oxazolidin-5-one (PubChem CID 11402901) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (3S,4R)-2-benzyl-4-methyl-3-phenyl-1,2-oxazolidin-5-one.

Molecular Properties

Compound Name(3S,4R)-2-benzyl-4-methyl-3-phenyl-1,2-oxazolidin-5-one
PubChem CID11402901
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(3S,4R)-2-benzyl-4-methyl-3-phenyl-1,2-oxazolidin-5-one
SMILESC[C@H]1C(=O)ON(Cc2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C17H17NO2/c1-13-16(15-10-6-3-7-11-15)18(20-17(13)19)12-14-8-4-2-5-9-14/h2-11,13,16H,12H2,1H3/t13-,16+/m1/s1
InChIKeyGOXDUNZFDGBOKM-CJNGLKHVSA-N
XLogP3.34
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-2-benzyl-4-methyl-3-phenyl-1,2-oxazolidin-5-one?
The IUPAC name of (3S,4R)-2-benzyl-4-methyl-3-phenyl-1,2-oxazolidin-5-one (CID 11402901) is (3S,4R)-2-benzyl-4-methyl-3-phenyl-1,2-oxazolidin-5-one.
What is the SMILES notation for (3S,4R)-2-benzyl-4-methyl-3-phenyl-1,2-oxazolidin-5-one?
The canonical SMILES for (3S,4R)-2-benzyl-4-methyl-3-phenyl-1,2-oxazolidin-5-one is C[C@H]1C(=O)ON(Cc2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of (3S,4R)-2-benzyl-4-methyl-3-phenyl-1,2-oxazolidin-5-one?
The InChIKey is GOXDUNZFDGBOKM-CJNGLKHVSA-N. The full InChI is InChI=1S/C17H17NO2/c1-13-16(15-10-6-3-7-11-15)18(20-17(13)19)12-14-8-4-2-5-9-14/h2-11,13,16H,12H2,1H3/t13-,16+/m1/s1.
What are the key properties of (3S,4R)-2-benzyl-4-methyl-3-phenyl-1,2-oxazolidin-5-one?
(3S,4R)-2-benzyl-4-methyl-3-phenyl-1,2-oxazolidin-5-one has a molecular weight of 267.33 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-2-benzyl-4-methyl-3-phenyl-1,2-oxazolidin-5-one is sourced from PubChem (CID 11402901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).