(4S)-4-benzyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one

C19H17NO3 — CID 10470464

IUPAC(4S)-4-benzyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one
SMILESO=C(/C=C/c1ccccc1)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C19H17NO3/c21-18(12-11-15-7-3-1-4-8-15)20-17(14-23-19(20)22)13-16-9-5-2-6-10-16/h1-12,17H,13-14H2/b12-11+/t17-/m0/s1
InChIKeyJWRBSVRDVDBQOA-FLVLSHQESA-N
MW307.35 g/mol
LogP3.29
Rot. Bonds4

About (4S)-4-benzyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one (PubChem CID 10470464) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one
PubChem CID10470464
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name(4S)-4-benzyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one
SMILESO=C(/C=C/c1ccccc1)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C19H17NO3/c21-18(12-11-15-7-3-1-4-8-15)20-17(14-23-19(20)22)13-16-9-5-2-6-10-16/h1-12,17H,13-14H2/b12-11+/t17-/m0/s1
InChIKeyJWRBSVRDVDBQOA-FLVLSHQESA-N
XLogP3.29
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one (CID 10470464) is (4S)-4-benzyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one is O=C(/C=C/c1ccccc1)N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one?
The InChIKey is JWRBSVRDVDBQOA-FLVLSHQESA-N. The full InChI is InChI=1S/C19H17NO3/c21-18(12-11-15-7-3-1-4-8-15)20-17(14-23-19(20)22)13-16-9-5-2-6-10-16/h1-12,17H,13-14H2/b12-11+/t17-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 307.35 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 10470464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).