(4R)-3-[(3R)-3-methyl-4-phenylmethoxybutanoyl]-4-phenyl-1,3-oxazolidin-2-one

C21H23NO4 — CID 24950516

IUPAC(4R)-3-[(3R)-3-methyl-4-phenylmethoxybutanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESC[C@@H](COCc1ccccc1)CC(=O)N1C(=O)OC[C@H]1c1ccccc1
InChIInChI=1S/C21H23NO4/c1-16(13-25-14-17-8-4-2-5-9-17)12-20(23)22-19(15-26-21(22)24)18-10-6-3-7-11-18/h2-11,16,19H,12-15H2,1H3/t16-,19+/m1/s1
InChIKeySYVXYOLEVPNREX-APWZRJJASA-N
MW353.42 g/mol
LogP3.95
Rot. Bonds7

About (4R)-3-[(3R)-3-methyl-4-phenylmethoxybutanoyl]-4-phenyl-1,3-oxazolidin-2-one

(4R)-3-[(3R)-3-methyl-4-phenylmethoxybutanoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 24950516) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is (4R)-3-[(3R)-3-methyl-4-phenylmethoxybutanoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[(3R)-3-methyl-4-phenylmethoxybutanoyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID24950516
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name(4R)-3-[(3R)-3-methyl-4-phenylmethoxybutanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESC[C@@H](COCc1ccccc1)CC(=O)N1C(=O)OC[C@H]1c1ccccc1
InChIInChI=1S/C21H23NO4/c1-16(13-25-14-17-8-4-2-5-9-17)12-20(23)22-19(15-26-21(22)24)18-10-6-3-7-11-18/h2-11,16,19H,12-15H2,1H3/t16-,19+/m1/s1
InChIKeySYVXYOLEVPNREX-APWZRJJASA-N
XLogP3.95
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(3R)-3-methyl-4-phenylmethoxybutanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[(3R)-3-methyl-4-phenylmethoxybutanoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 24950516) is (4R)-3-[(3R)-3-methyl-4-phenylmethoxybutanoyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[(3R)-3-methyl-4-phenylmethoxybutanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[(3R)-3-methyl-4-phenylmethoxybutanoyl]-4-phenyl-1,3-oxazolidin-2-one is C[C@@H](COCc1ccccc1)CC(=O)N1C(=O)OC[C@H]1c1ccccc1.
What is the InChIKey of (4R)-3-[(3R)-3-methyl-4-phenylmethoxybutanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is SYVXYOLEVPNREX-APWZRJJASA-N. The full InChI is InChI=1S/C21H23NO4/c1-16(13-25-14-17-8-4-2-5-9-17)12-20(23)22-19(15-26-21(22)24)18-10-6-3-7-11-18/h2-11,16,19H,12-15H2,1H3/t16-,19+/m1/s1.
What are the key properties of (4R)-3-[(3R)-3-methyl-4-phenylmethoxybutanoyl]-4-phenyl-1,3-oxazolidin-2-one?
(4R)-3-[(3R)-3-methyl-4-phenylmethoxybutanoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 353.42 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(3R)-3-methyl-4-phenylmethoxybutanoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 24950516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).