(4R)-4-benzyl-3-[(2R)-2-methyl-6-phenylmethoxyhexanoyl]-1,3-oxazolidin-2-one

C24H29NO4 — CID 10318531

IUPAC(4R)-4-benzyl-3-[(2R)-2-methyl-6-phenylmethoxyhexanoyl]-1,3-oxazolidin-2-one
SMILESC[C@H](CCCCOCc1ccccc1)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C24H29NO4/c1-19(10-8-9-15-28-17-21-13-6-3-7-14-21)23(26)25-22(18-29-24(25)27)16-20-11-4-2-5-12-20/h2-7,11-14,19,22H,8-10,15-18H2,1H3/t19-,22-/m1/s1
InChIKeyLKMLQQQDCBKJJO-DENIHFKCSA-N
MW395.50 g/mol
LogP4.60
Rot. Bonds10

About (4R)-4-benzyl-3-[(2R)-2-methyl-6-phenylmethoxyhexanoyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[(2R)-2-methyl-6-phenylmethoxyhexanoyl]-1,3-oxazolidin-2-one (PubChem CID 10318531) has the molecular formula C24H29NO4 and a molecular weight of 395.50 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(2R)-2-methyl-6-phenylmethoxyhexanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[(2R)-2-methyl-6-phenylmethoxyhexanoyl]-1,3-oxazolidin-2-one
PubChem CID10318531
Molecular FormulaC24H29NO4
Molecular Weight395.50 g/mol
Exact Mass395.21
IUPAC Name(4R)-4-benzyl-3-[(2R)-2-methyl-6-phenylmethoxyhexanoyl]-1,3-oxazolidin-2-one
SMILESC[C@H](CCCCOCc1ccccc1)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C24H29NO4/c1-19(10-8-9-15-28-17-21-13-6-3-7-14-21)23(26)25-22(18-29-24(25)27)16-20-11-4-2-5-12-20/h2-7,11-14,19,22H,8-10,15-18H2,1H3/t19-,22-/m1/s1
InChIKeyLKMLQQQDCBKJJO-DENIHFKCSA-N
XLogP4.60
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.60
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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Related Compounds

4-benzyl-3-(2-methyldecanoyl)-1,3-oxazolidin-2-one
CID 74430125
(4R)-4-benzyl-3-[(2S)-3-fluoro-2-methylpropanoyl]-1,3-oxazolidin-2-one
CID 129274259
(4S)-4-benzyl-3-[(E,2S)-2,4-dimethyl-6-phenylmethoxyhex-4-enoyl]-1,3-oxazolidin-2-one
CID 11661446
(4S)-4-benzyl-3-[(2S,6R)-2-methyl-6-(oxan-2-yloxy)heptanoyl]-1,3-oxazolidin-2-one
CID 178078188
4-benzyl-3-(3-bromo-2-methylpropanoyl)-1,3-oxazolidin-2-one
CID 76787138
tert-butyl 3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]-6-phenylmethoxyhexanoate;2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-phenylmethoxypentanoic acid
CID 161389702
(4S)-4-benzyl-3-[(2S)-3-(4-hydroxyphenyl)-2-methylpropanoyl]-1,3-oxazolidin-2-one
CID 58566621
(4S)-4-benzyl-3-[(2S,3R)-3-hydroxy-2-[(3S)-2-methyl-6-phenylmethoxyhex-1-en-3-yl]oxypent-4-enoyl]-1,3-oxazolidin-2-one
CID 122227480
(3R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-methyl-4-oxobutanal
CID 14609646
[1-[(4S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-methyl-5-oxopentyl]cyclopropyl] 2,2-dimethylpropanoate
CID 46855967
4-benzyl-3-[(2S,3S)-3-hydroxy-2-methyldecanoyl]-1,3-oxazolidin-2-one
CID 129245127
(4S)-4-benzyl-3-[(2R,4R)-5-hydroxy-2,4-dimethylpentanoyl]-1,3-oxazolidin-2-one
CID 101262619

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(2R)-2-methyl-6-phenylmethoxyhexanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[(2R)-2-methyl-6-phenylmethoxyhexanoyl]-1,3-oxazolidin-2-one (CID 10318531) is (4R)-4-benzyl-3-[(2R)-2-methyl-6-phenylmethoxyhexanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[(2R)-2-methyl-6-phenylmethoxyhexanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[(2R)-2-methyl-6-phenylmethoxyhexanoyl]-1,3-oxazolidin-2-one is C[C@H](CCCCOCc1ccccc1)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1.
What is the InChIKey of (4R)-4-benzyl-3-[(2R)-2-methyl-6-phenylmethoxyhexanoyl]-1,3-oxazolidin-2-one?
The InChIKey is LKMLQQQDCBKJJO-DENIHFKCSA-N. The full InChI is InChI=1S/C24H29NO4/c1-19(10-8-9-15-28-17-21-13-6-3-7-14-21)23(26)25-22(18-29-24(25)27)16-20-11-4-2-5-12-20/h2-7,11-14,19,22H,8-10,15-18H2,1H3/t19-,22-/m1/s1.
What are the key properties of (4R)-4-benzyl-3-[(2R)-2-methyl-6-phenylmethoxyhexanoyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[(2R)-2-methyl-6-phenylmethoxyhexanoyl]-1,3-oxazolidin-2-one has a molecular weight of 395.50 g/mol, XLogP of 4.60, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[(2R)-2-methyl-6-phenylmethoxyhexanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 10318531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).