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

C19H19NO3 — CID 11077752

IUPAC(4S,5R)-4-methyl-5-phenyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one
SMILESC[C@H]1[C@@H](c2ccccc2)OC(=O)N1C(=O)CCc1ccccc1
InChIInChI=1S/C19H19NO3/c1-14-18(16-10-6-3-7-11-16)23-19(22)20(14)17(21)13-12-15-8-4-2-5-9-15/h2-11,14,18H,12-13H2,1H3/t14-,18-/m0/s1
InChIKeyQWYOTPSJSUZQRW-KSSFIOAISA-N
MW309.37 g/mol
LogP3.73
Rot. Bonds4

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

(4S,5R)-4-methyl-5-phenyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one (PubChem CID 11077752) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is (4S,5R)-4-methyl-5-phenyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-4-methyl-5-phenyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one
PubChem CID11077752
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name(4S,5R)-4-methyl-5-phenyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one
SMILESC[C@H]1[C@@H](c2ccccc2)OC(=O)N1C(=O)CCc1ccccc1
InChIInChI=1S/C19H19NO3/c1-14-18(16-10-6-3-7-11-16)23-19(22)20(14)17(21)13-12-15-8-4-2-5-9-15/h2-11,14,18H,12-13H2,1H3/t14-,18-/m0/s1
InChIKeyQWYOTPSJSUZQRW-KSSFIOAISA-N
XLogP3.73
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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US11141410, Example 67
CID 129273416
3-ME-5-PH Oxazolidine-2,4-dione
CID 571063
3,4-Dimethyl-5-Phenyl-1,3-Oxazolidin-2-One
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CID 2943317

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-methyl-5-phenyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-4-methyl-5-phenyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one (CID 11077752) is (4S,5R)-4-methyl-5-phenyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-4-methyl-5-phenyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-4-methyl-5-phenyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one is C[C@H]1[C@@H](c2ccccc2)OC(=O)N1C(=O)CCc1ccccc1.
What is the InChIKey of (4S,5R)-4-methyl-5-phenyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one?
The InChIKey is QWYOTPSJSUZQRW-KSSFIOAISA-N. The full InChI is InChI=1S/C19H19NO3/c1-14-18(16-10-6-3-7-11-16)23-19(22)20(14)17(21)13-12-15-8-4-2-5-9-15/h2-11,14,18H,12-13H2,1H3/t14-,18-/m0/s1.
What are the key properties of (4S,5R)-4-methyl-5-phenyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one?
(4S,5R)-4-methyl-5-phenyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one has a molecular weight of 309.37 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-methyl-5-phenyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 11077752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).