(4S)-4-benzyl-3-[(2S)-2-methyl-5-phenylmethoxypentanoyl]-1,3-oxazolidin-2-one

C23H27NO4 — CID 22949804

IUPAC(4S)-4-benzyl-3-[(2S)-2-methyl-5-phenylmethoxypentanoyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](CCCOCc1ccccc1)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C23H27NO4/c1-18(9-8-14-27-16-20-12-6-3-7-13-20)22(25)24-21(17-28-23(24)26)15-19-10-4-2-5-11-19/h2-7,10-13,18,21H,8-9,14-17H2,1H3/t18-,21-/m0/s1
InChIKeyQKPRAFGPNVFSIA-RXVVDRJESA-N
MW381.47 g/mol
LogP4.21
Rot. Bonds9

About (4S)-4-benzyl-3-[(2S)-2-methyl-5-phenylmethoxypentanoyl]-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[(2S)-2-methyl-5-phenylmethoxypentanoyl]-1,3-oxazolidin-2-one (PubChem CID 22949804) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(2S)-2-methyl-5-phenylmethoxypentanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[(2S)-2-methyl-5-phenylmethoxypentanoyl]-1,3-oxazolidin-2-one
PubChem CID22949804
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Name(4S)-4-benzyl-3-[(2S)-2-methyl-5-phenylmethoxypentanoyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](CCCOCc1ccccc1)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C23H27NO4/c1-18(9-8-14-27-16-20-12-6-3-7-13-20)22(25)24-21(17-28-23(24)26)15-19-10-4-2-5-11-19/h2-7,10-13,18,21H,8-9,14-17H2,1H3/t18-,21-/m0/s1
InChIKeyQKPRAFGPNVFSIA-RXVVDRJESA-N
XLogP4.21
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 54.21
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-5-phenylmethoxypentanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[(2S)-2-methyl-5-phenylmethoxypentanoyl]-1,3-oxazolidin-2-one (CID 22949804) is (4S)-4-benzyl-3-[(2S)-2-methyl-5-phenylmethoxypentanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[(2S)-2-methyl-5-phenylmethoxypentanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[(2S)-2-methyl-5-phenylmethoxypentanoyl]-1,3-oxazolidin-2-one is C[C@@H](CCCOCc1ccccc1)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-[(2S)-2-methyl-5-phenylmethoxypentanoyl]-1,3-oxazolidin-2-one?
The InChIKey is QKPRAFGPNVFSIA-RXVVDRJESA-N. The full InChI is InChI=1S/C23H27NO4/c1-18(9-8-14-27-16-20-12-6-3-7-13-20)22(25)24-21(17-28-23(24)26)15-19-10-4-2-5-11-19/h2-7,10-13,18,21H,8-9,14-17H2,1H3/t18-,21-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-[(2S)-2-methyl-5-phenylmethoxypentanoyl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[(2S)-2-methyl-5-phenylmethoxypentanoyl]-1,3-oxazolidin-2-one has a molecular weight of 381.47 g/mol, XLogP of 4.21, 9 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-5-phenylmethoxypentanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 22949804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).