3-O-benzyl 5-O-methyl 2-(2,4-dimethoxyphenyl)-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate

C27H27NO7 — CID 57230837

IUPAC3-O-benzyl 5-O-methyl 2-(2,4-dimethoxyphenyl)-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate
SMILESCOC(=O)C1OC(c2ccc(OC)cc2OC)N(C(=O)OCc2ccccc2)C1c1ccccc1
InChIInChI=1S/C27H27NO7/c1-31-20-14-15-21(22(16-20)32-2)25-28(27(30)34-17-18-10-6-4-7-11-18)23(19-12-8-5-9-13-19)24(35-25)26(29)33-3/h4-16,23-25H,17H2,1-3H3
InChIKeyVTENJMUMPZUNSB-UHFFFAOYSA-N
MW477.51 g/mol
LogP4.65
Rot. Bonds7

About 3-O-benzyl 5-O-methyl 2-(2,4-dimethoxyphenyl)-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate

3-O-benzyl 5-O-methyl 2-(2,4-dimethoxyphenyl)-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate (PubChem CID 57230837) has the molecular formula C27H27NO7 and a molecular weight of 477.51 g/mol. Its IUPAC name is 3-O-benzyl 5-O-methyl 2-(2,4-dimethoxyphenyl)-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate.

Molecular Properties

Compound Name3-O-benzyl 5-O-methyl 2-(2,4-dimethoxyphenyl)-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate
PubChem CID57230837
Molecular FormulaC27H27NO7
Molecular Weight477.51 g/mol
Exact Mass477.18
IUPAC Name3-O-benzyl 5-O-methyl 2-(2,4-dimethoxyphenyl)-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate
SMILESCOC(=O)C1OC(c2ccc(OC)cc2OC)N(C(=O)OCc2ccccc2)C1c1ccccc1
InChIInChI=1S/C27H27NO7/c1-31-20-14-15-21(22(16-20)32-2)25-28(27(30)34-17-18-10-6-4-7-11-18)23(19-12-8-5-9-13-19)24(35-25)26(29)33-3/h4-16,23-25H,17H2,1-3H3
InChIKeyVTENJMUMPZUNSB-UHFFFAOYSA-N
XLogP4.65
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.51
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-O-methyl 3-O-(2,2,2-trichloroethyl) 2-(2,4-dimethoxyphenyl)-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate
CID 57064229
methyl (4S,5R)-3-benzyl-2-(2,4-dimethoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylate
CID 57044936
(4S,5R)-2-(2,4-dimethoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenyl-1,3-oxazolidine-5-carboxylic acid
CID 22865503
methyl (4S)-2-(2,4-dimethoxyphenyl)-3-(2-nitrophenyl)sulfanyl-4-phenyl-1,3-oxazolidine-5-carboxylate
CID 89246773
3-O-tert-butyl 5-O-methyl (5R)-2-(2,4-dimethoxyphenyl)-4-(2-methylpropyl)-1,3-oxazolidine-3,5-dicarboxylate
CID 174163738
phenylmethoxycarbonyl 2-(2,4-dimethoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylate
CID 140973353
CID 59245129
CID 59245129
1-O-benzyl 3-O-methyl (2R,3R,4S,5S)-4-amino-2-methyl-5-phenylpyrrolidine-1,3-dicarboxylate
CID 15454895
1-O-benzyl 3-O-methyl (2R,3S,4S,5R)-4,5-bis(hydroxymethyl)-2-phenylpyrrolidine-1,3-dicarboxylate
CID 24807598
1-O-benzyl 2-O,4-O-dimethyl (2S,3S,4S,5R)-3-(2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yl)-5-(4-methoxyphenyl)pyrrolidine-1,2,4-tricarboxylate
CID 51355948
benzyl 3-(3-methoxyphenyl)-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate
CID 171969101
benzyl (4R)-4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1101054

Frequently Asked Questions

What is the IUPAC name of 3-O-benzyl 5-O-methyl 2-(2,4-dimethoxyphenyl)-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate?
The IUPAC name of 3-O-benzyl 5-O-methyl 2-(2,4-dimethoxyphenyl)-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate (CID 57230837) is 3-O-benzyl 5-O-methyl 2-(2,4-dimethoxyphenyl)-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate.
What is the SMILES notation for 3-O-benzyl 5-O-methyl 2-(2,4-dimethoxyphenyl)-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate?
The canonical SMILES for 3-O-benzyl 5-O-methyl 2-(2,4-dimethoxyphenyl)-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate is COC(=O)C1OC(c2ccc(OC)cc2OC)N(C(=O)OCc2ccccc2)C1c1ccccc1.
What is the InChIKey of 3-O-benzyl 5-O-methyl 2-(2,4-dimethoxyphenyl)-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate?
The InChIKey is VTENJMUMPZUNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO7/c1-31-20-14-15-21(22(16-20)32-2)25-28(27(30)34-17-18-10-6-4-7-11-18)23(19-12-8-5-9-13-19)24(35-25)26(29)33-3/h4-16,23-25H,17H2,1-3H3.
What are the key properties of 3-O-benzyl 5-O-methyl 2-(2,4-dimethoxyphenyl)-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate?
3-O-benzyl 5-O-methyl 2-(2,4-dimethoxyphenyl)-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate has a molecular weight of 477.51 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-O-benzyl 5-O-methyl 2-(2,4-dimethoxyphenyl)-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate is sourced from PubChem (CID 57230837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).