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

C18H17NO3 — CID 11231717

IUPAC(4S)-4-phenyl-3-[(2R)-2-phenylpropanoyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](C(=O)N1C(=O)OC[C@@H]1c1ccccc1)c1ccccc1
InChIInChI=1S/C18H17NO3/c1-13(14-8-4-2-5-9-14)17(20)19-16(12-22-18(19)21)15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3/t13-,16-/m1/s1
InChIKeyKSSAAGMVSMKTSX-CZUORRHYSA-N
MW295.34 g/mol
LogP3.51
Rot. Bonds3

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

(4S)-4-phenyl-3-[(2R)-2-phenylpropanoyl]-1,3-oxazolidin-2-one (PubChem CID 11231717) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is (4S)-4-phenyl-3-[(2R)-2-phenylpropanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-phenyl-3-[(2R)-2-phenylpropanoyl]-1,3-oxazolidin-2-one
PubChem CID11231717
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name(4S)-4-phenyl-3-[(2R)-2-phenylpropanoyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](C(=O)N1C(=O)OC[C@@H]1c1ccccc1)c1ccccc1
InChIInChI=1S/C18H17NO3/c1-13(14-8-4-2-5-9-14)17(20)19-16(12-22-18(19)21)15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3/t13-,16-/m1/s1
InChIKeyKSSAAGMVSMKTSX-CZUORRHYSA-N
XLogP3.51
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-phenyl-3-[(2R)-2-phenylpropanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-phenyl-3-[(2R)-2-phenylpropanoyl]-1,3-oxazolidin-2-one (CID 11231717) is (4S)-4-phenyl-3-[(2R)-2-phenylpropanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-phenyl-3-[(2R)-2-phenylpropanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-phenyl-3-[(2R)-2-phenylpropanoyl]-1,3-oxazolidin-2-one is C[C@@H](C(=O)N1C(=O)OC[C@@H]1c1ccccc1)c1ccccc1.
What is the InChIKey of (4S)-4-phenyl-3-[(2R)-2-phenylpropanoyl]-1,3-oxazolidin-2-one?
The InChIKey is KSSAAGMVSMKTSX-CZUORRHYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-13(14-8-4-2-5-9-14)17(20)19-16(12-22-18(19)21)15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3/t13-,16-/m1/s1.
What are the key properties of (4S)-4-phenyl-3-[(2R)-2-phenylpropanoyl]-1,3-oxazolidin-2-one?
(4S)-4-phenyl-3-[(2R)-2-phenylpropanoyl]-1,3-oxazolidin-2-one has a molecular weight of 295.34 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-phenyl-3-[(2R)-2-phenylpropanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11231717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).