(4R)-4-benzyl-3-[(2R,5E,7E)-8-chloro-2-methylocta-5,7-dienoyl]-1,3-oxazolidin-2-one

C19H22ClNO3 — CID 11221759

IUPAC(4R)-4-benzyl-3-[(2R,5E,7E)-8-chloro-2-methylocta-5,7-dienoyl]-1,3-oxazolidin-2-one
SMILESC[C@H](CC/C=C/C=C/Cl)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C19H22ClNO3/c1-15(9-5-2-3-8-12-20)18(22)21-17(14-24-19(21)23)13-16-10-6-4-7-11-16/h2-4,6-8,10-12,15,17H,5,9,13-14H2,1H3/b3-2+,12-8+/t15-,17-/m1/s1
InChIKeyFATXCFPQJLBRFY-OABIVBHESA-N
MW347.84 g/mol
LogP4.30
Rot. Bonds7

About (4R)-4-benzyl-3-[(2R,5E,7E)-8-chloro-2-methylocta-5,7-dienoyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[(2R,5E,7E)-8-chloro-2-methylocta-5,7-dienoyl]-1,3-oxazolidin-2-one (PubChem CID 11221759) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(2R,5E,7E)-8-chloro-2-methylocta-5,7-dienoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[(2R,5E,7E)-8-chloro-2-methylocta-5,7-dienoyl]-1,3-oxazolidin-2-one
PubChem CID11221759
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC Name(4R)-4-benzyl-3-[(2R,5E,7E)-8-chloro-2-methylocta-5,7-dienoyl]-1,3-oxazolidin-2-one
SMILESC[C@H](CC/C=C/C=C/Cl)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C19H22ClNO3/c1-15(9-5-2-3-8-12-20)18(22)21-17(14-24-19(21)23)13-16-10-6-4-7-11-16/h2-4,6-8,10-12,15,17H,5,9,13-14H2,1H3/b3-2+,12-8+/t15-,17-/m1/s1
InChIKeyFATXCFPQJLBRFY-OABIVBHESA-N
XLogP4.30
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(4R)-4-benzyl-3-[(2S)-3-fluoro-2-methylpropanoyl]-1,3-oxazolidin-2-one
CID 129274259
(3R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-methyl-4-oxobutanal
CID 14609646
4-benzyl-3-(3-bromo-2-methylpropanoyl)-1,3-oxazolidin-2-one
CID 76787138
4-benzyl-3-(2-methyldecanoyl)-1,3-oxazolidin-2-one
CID 74430125
(4S)-4-benzyl-3-[(2R,4R)-5-hydroxy-2,4-dimethylpentanoyl]-1,3-oxazolidin-2-one
CID 101262619
(4S)-4-benzyl-3-[(E)-2-methylpent-3-enoyl]-1,3-oxazolidin-2-one
CID 126628879
(2R)-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-methylbutane-1,3-dione
CID 102120797
(4R)-4-benzyl-3-[(E,2S)-6-(1,3-dioxolan-2-yl)-2-methylhex-4-enoyl]-1,3-oxazolidin-2-one
CID 11485168
(4R)-4-benzyl-3-[(2R)-2-methyl-6-phenylmethoxyhexanoyl]-1,3-oxazolidin-2-one
CID 10318531
(4S)-4-benzyl-3-[(2S)-3-(4-hydroxyphenyl)-2-methylpropanoyl]-1,3-oxazolidin-2-one
CID 58566621
(4S)-4-benzyl-3-[(2R)-3-diphenylphosphanyl-2-methylpropanoyl]-1,3-oxazolidin-2-one
CID 25266516
(4S)-4-benzyl-3-[(2S)-2-bromo-3-methylbutanoyl]-1,3-oxazolidin-2-one
CID 14604024

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(2R,5E,7E)-8-chloro-2-methylocta-5,7-dienoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[(2R,5E,7E)-8-chloro-2-methylocta-5,7-dienoyl]-1,3-oxazolidin-2-one (CID 11221759) is (4R)-4-benzyl-3-[(2R,5E,7E)-8-chloro-2-methylocta-5,7-dienoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[(2R,5E,7E)-8-chloro-2-methylocta-5,7-dienoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[(2R,5E,7E)-8-chloro-2-methylocta-5,7-dienoyl]-1,3-oxazolidin-2-one is C[C@H](CC/C=C/C=C/Cl)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1.
What is the InChIKey of (4R)-4-benzyl-3-[(2R,5E,7E)-8-chloro-2-methylocta-5,7-dienoyl]-1,3-oxazolidin-2-one?
The InChIKey is FATXCFPQJLBRFY-OABIVBHESA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-15(9-5-2-3-8-12-20)18(22)21-17(14-24-19(21)23)13-16-10-6-4-7-11-16/h2-4,6-8,10-12,15,17H,5,9,13-14H2,1H3/b3-2+,12-8+/t15-,17-/m1/s1.
What are the key properties of (4R)-4-benzyl-3-[(2R,5E,7E)-8-chloro-2-methylocta-5,7-dienoyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[(2R,5E,7E)-8-chloro-2-methylocta-5,7-dienoyl]-1,3-oxazolidin-2-one has a molecular weight of 347.84 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[(2R,5E,7E)-8-chloro-2-methylocta-5,7-dienoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11221759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).