ethyl N-[(4R)-4-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl]carbamate

C16H21BrN2O7 — CID 118615856

IUPACethyl N-[(4R)-4-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl]carbamate
SMILESCCOC(=O)NN1C(=O)OC[C@H]1Cc1cc(OC)c(OC)c(OC)c1Br
InChIInChI=1S/C16H21BrN2O7/c1-5-25-15(20)18-19-10(8-26-16(19)21)6-9-7-11(22-2)13(23-3)14(24-4)12(9)17/h7,10H,5-6,8H2,1-4H3,(H,18,20)/t10-/m1/s1
InChIKeyIICVQHUCOVOWES-SNVBAGLBSA-N
MW433.26 g/mol
LogP2.50
Rot. Bonds7

About ethyl N-[(4R)-4-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl]carbamate

ethyl N-[(4R)-4-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl]carbamate (PubChem CID 118615856) has the molecular formula C16H21BrN2O7 and a molecular weight of 433.26 g/mol. Its IUPAC name is ethyl N-[(4R)-4-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[(4R)-4-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl]carbamate
PubChem CID118615856
Molecular FormulaC16H21BrN2O7
Molecular Weight433.26 g/mol
Exact Mass432.05
IUPAC Nameethyl N-[(4R)-4-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl]carbamate
SMILESCCOC(=O)NN1C(=O)OC[C@H]1Cc1cc(OC)c(OC)c(OC)c1Br
InChIInChI=1S/C16H21BrN2O7/c1-5-25-15(20)18-19-10(8-26-16(19)21)6-9-7-11(22-2)13(23-3)14(24-4)12(9)17/h7,10H,5-6,8H2,1-4H3,(H,18,20)/t10-/m1/s1
InChIKeyIICVQHUCOVOWES-SNVBAGLBSA-N
XLogP2.50
TPSA95.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.26
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-oxo-4-(3,4,5-trimethoxyphenyl)oxolane-3-carboxylate
CID 119054760
ethyl 5-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]-1-methylpyrazole-4-carboxylate
CID 108761505
2-bromo-6-ethyl-3,4-dimethoxyphenol
CID 84710445
methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)acetate
CID 15812003
benzyl N-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]carbamate
CID 11346476
ethyl N-[2-(3,4,5-trimethoxyphenyl)ethyl]carbamate
CID 113095674
ethyl N-(5-bromo-4-chloro-2-methoxyphenyl)carbamate
CID 134113322
1,2-diethyl-3,4,5-trimethoxybenzene
CID 123966014
ethyl N-[1-[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]piperidin-4-yl]carbamate
CID 47076923
4-benzyl-3-[2-(4-methoxy-3-methylphenyl)acetyl]-1,3-oxazolidin-2-one
CID 69145722
ethyl 4-acetyl-2-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]-5-methylfuran-3-carboxylate
CID 108763545
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate
CID 8921177

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(4R)-4-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl]carbamate?
The IUPAC name of ethyl N-[(4R)-4-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl]carbamate (CID 118615856) is ethyl N-[(4R)-4-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[(4R)-4-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[(4R)-4-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl]carbamate is CCOC(=O)NN1C(=O)OC[C@H]1Cc1cc(OC)c(OC)c(OC)c1Br.
What is the InChIKey of ethyl N-[(4R)-4-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl]carbamate?
The InChIKey is IICVQHUCOVOWES-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H21BrN2O7/c1-5-25-15(20)18-19-10(8-26-16(19)21)6-9-7-11(22-2)13(23-3)14(24-4)12(9)17/h7,10H,5-6,8H2,1-4H3,(H,18,20)/t10-/m1/s1.
What are the key properties of ethyl N-[(4R)-4-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl]carbamate?
ethyl N-[(4R)-4-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl]carbamate has a molecular weight of 433.26 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(4R)-4-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl]carbamate is sourced from PubChem (CID 118615856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).