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

C13H15NO3 — CID 853442

IUPAC(4R,5S)-4-methyl-5-phenyl-3-propanoyl-1,3-oxazolidin-2-one
SMILESCCC(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C
InChIInChI=1S/C13H15NO3/c1-3-11(15)14-9(2)12(17-13(14)16)10-7-5-4-6-8-10/h4-9,12H,3H2,1-2H3/t9-,12-/m1/s1
InChIKeyZMRFZBKROHCLIL-BXKDBHETSA-N
MW233.27 g/mol
LogP2.51
Rot. Bonds2

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

(4R,5S)-4-methyl-5-phenyl-3-propanoyl-1,3-oxazolidin-2-one (PubChem CID 853442) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is (4R,5S)-4-methyl-5-phenyl-3-propanoyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-4-methyl-5-phenyl-3-propanoyl-1,3-oxazolidin-2-one
PubChem CID853442
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name(4R,5S)-4-methyl-5-phenyl-3-propanoyl-1,3-oxazolidin-2-one
SMILESCCC(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C
InChIInChI=1S/C13H15NO3/c1-3-11(15)14-9(2)12(17-13(14)16)10-7-5-4-6-8-10/h4-9,12H,3H2,1-2H3/t9-,12-/m1/s1
InChIKeyZMRFZBKROHCLIL-BXKDBHETSA-N
XLogP2.51
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.51
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-5-phenyl-3-propanoyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-4-methyl-5-phenyl-3-propanoyl-1,3-oxazolidin-2-one (CID 853442) is (4R,5S)-4-methyl-5-phenyl-3-propanoyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-4-methyl-5-phenyl-3-propanoyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-4-methyl-5-phenyl-3-propanoyl-1,3-oxazolidin-2-one is CCC(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C.
What is the InChIKey of (4R,5S)-4-methyl-5-phenyl-3-propanoyl-1,3-oxazolidin-2-one?
The InChIKey is ZMRFZBKROHCLIL-BXKDBHETSA-N. The full InChI is InChI=1S/C13H15NO3/c1-3-11(15)14-9(2)12(17-13(14)16)10-7-5-4-6-8-10/h4-9,12H,3H2,1-2H3/t9-,12-/m1/s1.
What are the key properties of (4R,5S)-4-methyl-5-phenyl-3-propanoyl-1,3-oxazolidin-2-one?
(4R,5S)-4-methyl-5-phenyl-3-propanoyl-1,3-oxazolidin-2-one has a molecular weight of 233.27 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-methyl-5-phenyl-3-propanoyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 853442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).