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

C22H25NO4 — CID 131974589

IUPAC(4S)-4-benzyl-3-[(2S)-2-methyl-4-phenylmethoxybutanoyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](CCOCc1ccccc1)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C22H25NO4/c1-17(12-13-26-15-19-10-6-3-7-11-19)21(24)23-20(16-27-22(23)25)14-18-8-4-2-5-9-18/h2-11,17,20H,12-16H2,1H3/t17-,20-/m0/s1
InChIKeyFZQJOJHCQVORFU-PXNSSMCTSA-N
MW367.45 g/mol
LogP3.82
Rot. Bonds8

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

(4S)-4-benzyl-3-[(2S)-2-methyl-4-phenylmethoxybutanoyl]-1,3-oxazolidin-2-one (PubChem CID 131974589) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(2S)-2-methyl-4-phenylmethoxybutanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[(2S)-2-methyl-4-phenylmethoxybutanoyl]-1,3-oxazolidin-2-one
PubChem CID131974589
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name(4S)-4-benzyl-3-[(2S)-2-methyl-4-phenylmethoxybutanoyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](CCOCc1ccccc1)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C22H25NO4/c1-17(12-13-26-15-19-10-6-3-7-11-19)21(24)23-20(16-27-22(23)25)14-18-8-4-2-5-9-18/h2-11,17,20H,12-16H2,1H3/t17-,20-/m0/s1
InChIKeyFZQJOJHCQVORFU-PXNSSMCTSA-N
XLogP3.82
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.82
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-[(2S)-2-methyl-4-phenylmethoxybutanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[(2S)-2-methyl-4-phenylmethoxybutanoyl]-1,3-oxazolidin-2-one (CID 131974589) is (4S)-4-benzyl-3-[(2S)-2-methyl-4-phenylmethoxybutanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[(2S)-2-methyl-4-phenylmethoxybutanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[(2S)-2-methyl-4-phenylmethoxybutanoyl]-1,3-oxazolidin-2-one is C[C@@H](CCOCc1ccccc1)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-[(2S)-2-methyl-4-phenylmethoxybutanoyl]-1,3-oxazolidin-2-one?
The InChIKey is FZQJOJHCQVORFU-PXNSSMCTSA-N. The full InChI is InChI=1S/C22H25NO4/c1-17(12-13-26-15-19-10-6-3-7-11-19)21(24)23-20(16-27-22(23)25)14-18-8-4-2-5-9-18/h2-11,17,20H,12-16H2,1H3/t17-,20-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-[(2S)-2-methyl-4-phenylmethoxybutanoyl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[(2S)-2-methyl-4-phenylmethoxybutanoyl]-1,3-oxazolidin-2-one has a molecular weight of 367.45 g/mol, XLogP of 3.82, 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-[(2S)-2-methyl-4-phenylmethoxybutanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 131974589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).