benzyl 5-[(2S)-2-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)butyl]-2-methoxybenzoate

C30H31NO6 — CID 23553060

IUPACbenzyl 5-[(2S)-2-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)butyl]-2-methoxybenzoate
SMILESCC[C@@H](Cc1ccc(OC)c(C(=O)OCc2ccccc2)c1)C(=O)N1C(=O)OCC1Cc1ccccc1
InChIInChI=1S/C30H31NO6/c1-3-24(28(32)31-25(20-37-30(31)34)17-21-10-6-4-7-11-21)16-23-14-15-27(35-2)26(18-23)29(33)36-19-22-12-8-5-9-13-22/h4-15,18,24-25H,3,16-17,19-20H2,1-2H3/t24-,25?/m0/s1
InChIKeyIBDDVKDAGLQTQJ-SKCDSABHSA-N
MW501.58 g/mol
LogP5.21
Rot. Bonds10

About benzyl 5-[(2S)-2-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)butyl]-2-methoxybenzoate

benzyl 5-[(2S)-2-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)butyl]-2-methoxybenzoate (PubChem CID 23553060) has the molecular formula C30H31NO6 and a molecular weight of 501.58 g/mol. Its IUPAC name is benzyl 5-[(2S)-2-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)butyl]-2-methoxybenzoate.

Molecular Properties

Compound Namebenzyl 5-[(2S)-2-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)butyl]-2-methoxybenzoate
PubChem CID23553060
Molecular FormulaC30H31NO6
Molecular Weight501.58 g/mol
Exact Mass501.22
IUPAC Namebenzyl 5-[(2S)-2-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)butyl]-2-methoxybenzoate
SMILESCC[C@@H](Cc1ccc(OC)c(C(=O)OCc2ccccc2)c1)C(=O)N1C(=O)OCC1Cc1ccccc1
InChIInChI=1S/C30H31NO6/c1-3-24(28(32)31-25(20-37-30(31)34)17-21-10-6-4-7-11-21)16-23-14-15-27(35-2)26(18-23)29(33)36-19-22-12-8-5-9-13-22/h4-15,18,24-25H,3,16-17,19-20H2,1-2H3/t24-,25?/m0/s1
InChIKeyIBDDVKDAGLQTQJ-SKCDSABHSA-N
XLogP5.21
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.58
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze benzyl 5-[(2S)-2-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)butyl]-2-methoxybenzoate with MolForge

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Launch Full Analysis

Related Compounds

5-[2-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)butyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 18678028
5-[(2R)-2-[(4S)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]butyl]-N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-methoxybenzamide
CID 11520052
4-benzyl-3-[(2R)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pent-4-enoyl]-1,3-oxazolidin-2-one
CID 134834760
(4S)-4-benzyl-3-[(2S)-2-[(3,4-dimethoxyphenyl)methyl]pent-4-enoyl]-1,3-oxazolidin-2-one
CID 57409325
benzyl 3-benzyl-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutanoate
CID 70043070
benzyl (3R)-3-benzyl-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutanoate
CID 18658173
(4S)-4-benzyl-3-[(2R)-2-(hydroxymethyl)butanoyl]-1,3-oxazolidin-2-one
CID 10016346
(4S)-4-benzyl-3-[(2R,3S)-3-hydroxy-3-(3-methoxy-4-phenylmethoxyphenyl)-2-methylpropanoyl]-1,3-oxazolidin-2-one
CID 11576507
3-benzyl-4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-4-oxobutanoic acid
CID 22397352
(4S)-4-benzyl-3-[2-(4-methoxy-3-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one
CID 15180731
tert-butyl (3R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[(3-methoxyphenyl)methyl]-4-oxobutanoate
CID 51355179
benzyl 4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-(naphthalen-1-ylmethyl)-4-oxobutanoate
CID 18658183

Frequently Asked Questions

What is the IUPAC name of benzyl 5-[(2S)-2-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)butyl]-2-methoxybenzoate?
The IUPAC name of benzyl 5-[(2S)-2-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)butyl]-2-methoxybenzoate (CID 23553060) is benzyl 5-[(2S)-2-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)butyl]-2-methoxybenzoate.
What is the SMILES notation for benzyl 5-[(2S)-2-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)butyl]-2-methoxybenzoate?
The canonical SMILES for benzyl 5-[(2S)-2-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)butyl]-2-methoxybenzoate is CC[C@@H](Cc1ccc(OC)c(C(=O)OCc2ccccc2)c1)C(=O)N1C(=O)OCC1Cc1ccccc1.
What is the InChIKey of benzyl 5-[(2S)-2-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)butyl]-2-methoxybenzoate?
The InChIKey is IBDDVKDAGLQTQJ-SKCDSABHSA-N. The full InChI is InChI=1S/C30H31NO6/c1-3-24(28(32)31-25(20-37-30(31)34)17-21-10-6-4-7-11-21)16-23-14-15-27(35-2)26(18-23)29(33)36-19-22-12-8-5-9-13-22/h4-15,18,24-25H,3,16-17,19-20H2,1-2H3/t24-,25?/m0/s1.
What are the key properties of benzyl 5-[(2S)-2-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)butyl]-2-methoxybenzoate?
benzyl 5-[(2S)-2-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)butyl]-2-methoxybenzoate has a molecular weight of 501.58 g/mol, XLogP of 5.21, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 5-[(2S)-2-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)butyl]-2-methoxybenzoate is sourced from PubChem (CID 23553060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).