methyl 1-[2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]-2-oxoethyl]indole-3-carboxylate

C23H20N2O6 — CID 30090937

IUPACmethyl 1-[2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]-2-oxoethyl]indole-3-carboxylate
SMILESCOC(=O)c1cn(CC(=O)OCc2cc(-c3ccccc3OC)no2)c2ccccc12
InChIInChI=1S/C23H20N2O6/c1-28-21-10-6-4-8-17(21)19-11-15(31-24-19)14-30-22(26)13-25-12-18(23(27)29-2)16-7-3-5-9-20(16)25/h3-12H,13-14H2,1-2H3
InChIKeyMVWDKCPCHWQTES-UHFFFAOYSA-N
MW420.42 g/mol
LogP3.83
Rot. Bonds7

About methyl 1-[2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]-2-oxoethyl]indole-3-carboxylate

methyl 1-[2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]-2-oxoethyl]indole-3-carboxylate (PubChem CID 30090937) has the molecular formula C23H20N2O6 and a molecular weight of 420.42 g/mol. Its IUPAC name is methyl 1-[2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]-2-oxoethyl]indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]-2-oxoethyl]indole-3-carboxylate
PubChem CID30090937
Molecular FormulaC23H20N2O6
Molecular Weight420.42 g/mol
Exact Mass420.13
IUPAC Namemethyl 1-[2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]-2-oxoethyl]indole-3-carboxylate
SMILESCOC(=O)c1cn(CC(=O)OCc2cc(-c3ccccc3OC)no2)c2ccccc12
InChIInChI=1S/C23H20N2O6/c1-28-21-10-6-4-8-17(21)19-11-15(31-24-19)14-30-22(26)13-25-12-18(23(27)29-2)16-7-3-5-9-20(16)25/h3-12H,13-14H2,1-2H3
InChIKeyMVWDKCPCHWQTES-UHFFFAOYSA-N
XLogP3.83
TPSA92.79 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 1-[2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]-2-oxoethyl]indole-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]-2-oxoethyl]indole-3-carboxylate?
The IUPAC name of methyl 1-[2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]-2-oxoethyl]indole-3-carboxylate (CID 30090937) is methyl 1-[2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]-2-oxoethyl]indole-3-carboxylate.
What is the SMILES notation for methyl 1-[2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]-2-oxoethyl]indole-3-carboxylate?
The canonical SMILES for methyl 1-[2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]-2-oxoethyl]indole-3-carboxylate is COC(=O)c1cn(CC(=O)OCc2cc(-c3ccccc3OC)no2)c2ccccc12.
What is the InChIKey of methyl 1-[2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]-2-oxoethyl]indole-3-carboxylate?
The InChIKey is MVWDKCPCHWQTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O6/c1-28-21-10-6-4-8-17(21)19-11-15(31-24-19)14-30-22(26)13-25-12-18(23(27)29-2)16-7-3-5-9-20(16)25/h3-12H,13-14H2,1-2H3.
What are the key properties of methyl 1-[2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]-2-oxoethyl]indole-3-carboxylate?
methyl 1-[2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]-2-oxoethyl]indole-3-carboxylate has a molecular weight of 420.42 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]-2-oxoethyl]indole-3-carboxylate is sourced from PubChem (CID 30090937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).