(4R)-4-benzyl-3-[(2R)-8-bromo-2-methyloctyl]-1,3-oxazolidin-2-one

C19H28BrNO2 — CID 166525169

IUPAC(4R)-4-benzyl-3-[(2R)-8-bromo-2-methyloctyl]-1,3-oxazolidin-2-one
SMILESC[C@H](CCCCCCBr)CN1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C19H28BrNO2/c1-16(9-5-2-3-8-12-20)14-21-18(15-23-19(21)22)13-17-10-6-4-7-11-17/h4,6-7,10-11,16,18H,2-3,5,8-9,12-15H2,1H3/t16-,18-/m1/s1
InChIKeyJUJAGQPNDWMSMN-SJLPKXTDSA-N
MW382.34 g/mol
LogP5.03
Rot. Bonds10

About (4R)-4-benzyl-3-[(2R)-8-bromo-2-methyloctyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[(2R)-8-bromo-2-methyloctyl]-1,3-oxazolidin-2-one (PubChem CID 166525169) has the molecular formula C19H28BrNO2 and a molecular weight of 382.34 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(2R)-8-bromo-2-methyloctyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[(2R)-8-bromo-2-methyloctyl]-1,3-oxazolidin-2-one
PubChem CID166525169
Molecular FormulaC19H28BrNO2
Molecular Weight382.34 g/mol
Exact Mass381.13
IUPAC Name(4R)-4-benzyl-3-[(2R)-8-bromo-2-methyloctyl]-1,3-oxazolidin-2-one
SMILESC[C@H](CCCCCCBr)CN1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C19H28BrNO2/c1-16(9-5-2-3-8-12-20)14-21-18(15-23-19(21)22)13-17-10-6-4-7-11-17/h4,6-7,10-11,16,18H,2-3,5,8-9,12-15H2,1H3/t16-,18-/m1/s1
InChIKeyJUJAGQPNDWMSMN-SJLPKXTDSA-N
XLogP5.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.34
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4R)-4-benzyl-3-[(2R)-8-bromo-2-methyloctyl]-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(4S)-4-benzyl-3-hexadecyl-1,3-oxazolidin-2-one
CID 150010367
(4S)-4-benzyl-3-propyl-1,3-oxazolidin-2-one
CID 155294169
(4R)-4-benzyl-3-methyl-1,3-oxazolidin-2-one
CID 14836208
2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)acetic acid
CID 82372064
(4S)-4-benzyl-3-[(2S,3S)-3-hydroxy-2-(trifluoromethyl)hexyl]-1,3-oxazolidin-2-one
CID 101364892
(4S)-4-benzyl-3-[(2S,3R)-3-hydroxy-2-(trifluoromethyl)hexyl]-1,3-oxazolidin-2-one
CID 101364891
4-benzyl-3-(2-methyldecanoyl)-1,3-oxazolidin-2-one
CID 74430125
(4R)-4-benzyl-3-[(1R)-1-sulfanylethyl]-1,3-oxazolidin-2-one
CID 139924961
4-benzyl-3-(1-phenylethyl)-1,3-oxazolidin-2-one
CID 68997353
(4R)-4-benzyl-3-(1-sulfanylethyl)-1,3-oxazolidin-2-one
CID 170024134
(4S)-4-benzyl-3-[(1S)-1-sulfanylethyl]-1,3-oxazolidin-2-one
CID 139924962
4-benzyl-3-(3-bromo-2-methylpropanoyl)-1,3-oxazolidin-2-one
CID 76787138

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(2R)-8-bromo-2-methyloctyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[(2R)-8-bromo-2-methyloctyl]-1,3-oxazolidin-2-one (CID 166525169) is (4R)-4-benzyl-3-[(2R)-8-bromo-2-methyloctyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[(2R)-8-bromo-2-methyloctyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[(2R)-8-bromo-2-methyloctyl]-1,3-oxazolidin-2-one is C[C@H](CCCCCCBr)CN1C(=O)OC[C@H]1Cc1ccccc1.
What is the InChIKey of (4R)-4-benzyl-3-[(2R)-8-bromo-2-methyloctyl]-1,3-oxazolidin-2-one?
The InChIKey is JUJAGQPNDWMSMN-SJLPKXTDSA-N. The full InChI is InChI=1S/C19H28BrNO2/c1-16(9-5-2-3-8-12-20)14-21-18(15-23-19(21)22)13-17-10-6-4-7-11-17/h4,6-7,10-11,16,18H,2-3,5,8-9,12-15H2,1H3/t16-,18-/m1/s1.
What are the key properties of (4R)-4-benzyl-3-[(2R)-8-bromo-2-methyloctyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[(2R)-8-bromo-2-methyloctyl]-1,3-oxazolidin-2-one has a molecular weight of 382.34 g/mol, XLogP of 5.03, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[(2R)-8-bromo-2-methyloctyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 166525169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).