(4S)-4-benzyl-3-(4-phenylmethoxybutanoyl)-1,3-oxazolidin-2-one

C21H23NO4 — CID 11142747

IUPAC(4S)-4-benzyl-3-(4-phenylmethoxybutanoyl)-1,3-oxazolidin-2-one
SMILESO=C(CCCOCc1ccccc1)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C21H23NO4/c23-20(12-7-13-25-15-18-10-5-2-6-11-18)22-19(16-26-21(22)24)14-17-8-3-1-4-9-17/h1-6,8-11,19H,7,12-16H2/t19-/m0/s1
InChIKeyPPWAXELJUXMDJA-IBGZPJMESA-N
MW353.42 g/mol
LogP3.57
Rot. Bonds8

About (4S)-4-benzyl-3-(4-phenylmethoxybutanoyl)-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-(4-phenylmethoxybutanoyl)-1,3-oxazolidin-2-one (PubChem CID 11142747) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is (4S)-4-benzyl-3-(4-phenylmethoxybutanoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-(4-phenylmethoxybutanoyl)-1,3-oxazolidin-2-one
PubChem CID11142747
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name(4S)-4-benzyl-3-(4-phenylmethoxybutanoyl)-1,3-oxazolidin-2-one
SMILESO=C(CCCOCc1ccccc1)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C21H23NO4/c23-20(12-7-13-25-15-18-10-5-2-6-11-18)22-19(16-26-21(22)24)14-17-8-3-1-4-9-17/h1-6,8-11,19H,7,12-16H2/t19-/m0/s1
InChIKeyPPWAXELJUXMDJA-IBGZPJMESA-N
XLogP3.57
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-(4-phenylmethoxybutanoyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-(4-phenylmethoxybutanoyl)-1,3-oxazolidin-2-one (CID 11142747) is (4S)-4-benzyl-3-(4-phenylmethoxybutanoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-(4-phenylmethoxybutanoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-(4-phenylmethoxybutanoyl)-1,3-oxazolidin-2-one is O=C(CCCOCc1ccccc1)N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-(4-phenylmethoxybutanoyl)-1,3-oxazolidin-2-one?
The InChIKey is PPWAXELJUXMDJA-IBGZPJMESA-N. The full InChI is InChI=1S/C21H23NO4/c23-20(12-7-13-25-15-18-10-5-2-6-11-18)22-19(16-26-21(22)24)14-17-8-3-1-4-9-17/h1-6,8-11,19H,7,12-16H2/t19-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-(4-phenylmethoxybutanoyl)-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-(4-phenylmethoxybutanoyl)-1,3-oxazolidin-2-one has a molecular weight of 353.42 g/mol, XLogP of 3.57, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-(4-phenylmethoxybutanoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 11142747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).