(4S)-4-benzyl-3-[(3S)-3-hydroxy-3-phenylpropanoyl]-1,3-oxazolidin-2-one

C19H19NO4 — CID 15349603

IUPAC(4S)-4-benzyl-3-[(3S)-3-hydroxy-3-phenylpropanoyl]-1,3-oxazolidin-2-one
SMILESO=C(C[C@H](O)c1ccccc1)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C19H19NO4/c21-17(15-9-5-2-6-10-15)12-18(22)20-16(13-24-19(20)23)11-14-7-3-1-4-8-14/h1-10,16-17,21H,11-13H2/t16-,17-/m0/s1
InChIKeySHFSHTAGRFULET-IRXDYDNUSA-N
MW325.36 g/mol
LogP2.70
Rot. Bonds5

About (4S)-4-benzyl-3-[(3S)-3-hydroxy-3-phenylpropanoyl]-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[(3S)-3-hydroxy-3-phenylpropanoyl]-1,3-oxazolidin-2-one (PubChem CID 15349603) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(3S)-3-hydroxy-3-phenylpropanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[(3S)-3-hydroxy-3-phenylpropanoyl]-1,3-oxazolidin-2-one
PubChem CID15349603
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name(4S)-4-benzyl-3-[(3S)-3-hydroxy-3-phenylpropanoyl]-1,3-oxazolidin-2-one
SMILESO=C(C[C@H](O)c1ccccc1)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C19H19NO4/c21-17(15-9-5-2-6-10-15)12-18(22)20-16(13-24-19(20)23)11-14-7-3-1-4-8-14/h1-10,16-17,21H,11-13H2/t16-,17-/m0/s1
InChIKeySHFSHTAGRFULET-IRXDYDNUSA-N
XLogP2.70
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[(3S)-3-hydroxy-3-phenylpropanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[(3S)-3-hydroxy-3-phenylpropanoyl]-1,3-oxazolidin-2-one (CID 15349603) is (4S)-4-benzyl-3-[(3S)-3-hydroxy-3-phenylpropanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[(3S)-3-hydroxy-3-phenylpropanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[(3S)-3-hydroxy-3-phenylpropanoyl]-1,3-oxazolidin-2-one is O=C(C[C@H](O)c1ccccc1)N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-[(3S)-3-hydroxy-3-phenylpropanoyl]-1,3-oxazolidin-2-one?
The InChIKey is SHFSHTAGRFULET-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H19NO4/c21-17(15-9-5-2-6-10-15)12-18(22)20-16(13-24-19(20)23)11-14-7-3-1-4-8-14/h1-10,16-17,21H,11-13H2/t16-,17-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-[(3S)-3-hydroxy-3-phenylpropanoyl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[(3S)-3-hydroxy-3-phenylpropanoyl]-1,3-oxazolidin-2-one has a molecular weight of 325.36 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[(3S)-3-hydroxy-3-phenylpropanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 15349603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).