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

C20H21NO3 — CID 11232542

IUPAC(4R,5S)-4-methyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-5-phenyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1[C@H](c2ccccc2)OC(=O)N1C(=O)[C@@H](C)Cc1ccccc1
InChIInChI=1S/C20H21NO3/c1-14(13-16-9-5-3-6-10-16)19(22)21-15(2)18(24-20(21)23)17-11-7-4-8-12-17/h3-12,14-15,18H,13H2,1-2H3/t14-,15+,18+/m0/s1
InChIKeyJWJABRJKLSRJIA-HDMKZQKVSA-N
MW323.39 g/mol
LogP3.97
Rot. Bonds4

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

(4R,5S)-4-methyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 11232542) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is (4R,5S)-4-methyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-4-methyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-5-phenyl-1,3-oxazolidin-2-one
PubChem CID11232542
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name(4R,5S)-4-methyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-5-phenyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1[C@H](c2ccccc2)OC(=O)N1C(=O)[C@@H](C)Cc1ccccc1
InChIInChI=1S/C20H21NO3/c1-14(13-16-9-5-3-6-10-16)19(22)21-15(2)18(24-20(21)23)17-11-7-4-8-12-17/h3-12,14-15,18H,13H2,1-2H3/t14-,15+,18+/m0/s1
InChIKeyJWJABRJKLSRJIA-HDMKZQKVSA-N
XLogP3.97
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-methyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-5-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-4-methyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-5-phenyl-1,3-oxazolidin-2-one (CID 11232542) is (4R,5S)-4-methyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-5-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-4-methyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-5-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-4-methyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-5-phenyl-1,3-oxazolidin-2-one is C[C@@H]1[C@H](c2ccccc2)OC(=O)N1C(=O)[C@@H](C)Cc1ccccc1.
What is the InChIKey of (4R,5S)-4-methyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is JWJABRJKLSRJIA-HDMKZQKVSA-N. The full InChI is InChI=1S/C20H21NO3/c1-14(13-16-9-5-3-6-10-16)19(22)21-15(2)18(24-20(21)23)17-11-7-4-8-12-17/h3-12,14-15,18H,13H2,1-2H3/t14-,15+,18+/m0/s1.
What are the key properties of (4R,5S)-4-methyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-5-phenyl-1,3-oxazolidin-2-one?
(4R,5S)-4-methyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 323.39 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-methyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11232542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).