2-O-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl] 1-O-methyl benzene-1,2-dicarboxylate

C20H17NO6 — CID 16870041

IUPAC2-O-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl] 1-O-methyl benzene-1,2-dicarboxylate
SMILESCOC(=O)c1ccccc1C(=O)OCc1cc(-c2ccc(OC)cc2)on1
InChIInChI=1S/C20H17NO6/c1-24-15-9-7-13(8-10-15)18-11-14(21-27-18)12-26-20(23)17-6-4-3-5-16(17)19(22)25-2/h3-11H,12H2,1-2H3
InChIKeyWJBUPKYKSGFBLL-UHFFFAOYSA-N
MW367.36 g/mol
LogP3.49
Rot. Bonds6

About 2-O-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl] 1-O-methyl benzene-1,2-dicarboxylate

2-O-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl] 1-O-methyl benzene-1,2-dicarboxylate (PubChem CID 16870041) has the molecular formula C20H17NO6 and a molecular weight of 367.36 g/mol. Its IUPAC name is 2-O-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl] 1-O-methyl benzene-1,2-dicarboxylate.

Molecular Properties

Compound Name2-O-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl] 1-O-methyl benzene-1,2-dicarboxylate
PubChem CID16870041
Molecular FormulaC20H17NO6
Molecular Weight367.36 g/mol
Exact Mass367.11
IUPAC Name2-O-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl] 1-O-methyl benzene-1,2-dicarboxylate
SMILESCOC(=O)c1ccccc1C(=O)OCc1cc(-c2ccc(OC)cc2)on1
InChIInChI=1S/C20H17NO6/c1-24-15-9-7-13(8-10-15)18-11-14(21-27-18)12-26-20(23)17-6-4-3-5-16(17)19(22)25-2/h3-11H,12H2,1-2H3
InChIKeyWJBUPKYKSGFBLL-UHFFFAOYSA-N
XLogP3.49
TPSA87.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-chlorobenzoate
CID 16869944
(5-phenyl-1,2-oxazol-3-yl)methyl 2-bromo-5-methoxybenzoate
CID 8809016
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-methylbenzoate
CID 16869792
[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 2-chlorobenzoate
CID 16869440
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 3,4-difluorobenzoate
CID 16869952
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-ethoxynaphthalene-1-carboxylate
CID 16869971
(5-phenyl-1,2-oxazol-3-yl)methyl 3-methoxybenzoate
CID 9019208
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 3-(4-methoxyphenyl)propanoate
CID 16870033
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-ethylsulfanylbenzoate
CID 16869906
(5-phenyl-1,2-oxazol-3-yl)methyl 2-(methanesulfonamido)benzoate
CID 24530422
[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 3-methoxybenzoate
CID 16869669
N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylsulfanylbenzamide
CID 16867217

Frequently Asked Questions

What is the IUPAC name of 2-O-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl] 1-O-methyl benzene-1,2-dicarboxylate?
The IUPAC name of 2-O-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl] 1-O-methyl benzene-1,2-dicarboxylate (CID 16870041) is 2-O-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl] 1-O-methyl benzene-1,2-dicarboxylate.
What is the SMILES notation for 2-O-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl] 1-O-methyl benzene-1,2-dicarboxylate?
The canonical SMILES for 2-O-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl] 1-O-methyl benzene-1,2-dicarboxylate is COC(=O)c1ccccc1C(=O)OCc1cc(-c2ccc(OC)cc2)on1.
What is the InChIKey of 2-O-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl] 1-O-methyl benzene-1,2-dicarboxylate?
The InChIKey is WJBUPKYKSGFBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO6/c1-24-15-9-7-13(8-10-15)18-11-14(21-27-18)12-26-20(23)17-6-4-3-5-16(17)19(22)25-2/h3-11H,12H2,1-2H3.
What are the key properties of 2-O-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl] 1-O-methyl benzene-1,2-dicarboxylate?
2-O-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl] 1-O-methyl benzene-1,2-dicarboxylate has a molecular weight of 367.36 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl] 1-O-methyl benzene-1,2-dicarboxylate is sourced from PubChem (CID 16870041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).