dimethyl 3-(2,3-dimethoxyphenyl)-2-[(2,3-dimethoxyphenyl)methyl]-3H-1,2-oxazole-4,5-dicarboxylate

C24H27NO9 — CID 101426959

IUPACdimethyl 3-(2,3-dimethoxyphenyl)-2-[(2,3-dimethoxyphenyl)methyl]-3H-1,2-oxazole-4,5-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C(c2cccc(OC)c2OC)N(Cc2cccc(OC)c2OC)O1
InChIInChI=1S/C24H27NO9/c1-28-16-11-7-9-14(20(16)30-3)13-25-19(15-10-8-12-17(29-2)21(15)31-4)18(23(26)32-5)22(34-25)24(27)33-6/h7-12,19H,13H2,1-6H3
InChIKeyFNUOCCLFAVQLAR-UHFFFAOYSA-N
MW473.48 g/mol
LogP2.81
Rot. Bonds9

About dimethyl 3-(2,3-dimethoxyphenyl)-2-[(2,3-dimethoxyphenyl)methyl]-3H-1,2-oxazole-4,5-dicarboxylate

dimethyl 3-(2,3-dimethoxyphenyl)-2-[(2,3-dimethoxyphenyl)methyl]-3H-1,2-oxazole-4,5-dicarboxylate (PubChem CID 101426959) has the molecular formula C24H27NO9 and a molecular weight of 473.48 g/mol. Its IUPAC name is dimethyl 3-(2,3-dimethoxyphenyl)-2-[(2,3-dimethoxyphenyl)methyl]-3H-1,2-oxazole-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-(2,3-dimethoxyphenyl)-2-[(2,3-dimethoxyphenyl)methyl]-3H-1,2-oxazole-4,5-dicarboxylate
PubChem CID101426959
Molecular FormulaC24H27NO9
Molecular Weight473.48 g/mol
Exact Mass473.17
IUPAC Namedimethyl 3-(2,3-dimethoxyphenyl)-2-[(2,3-dimethoxyphenyl)methyl]-3H-1,2-oxazole-4,5-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C(c2cccc(OC)c2OC)N(Cc2cccc(OC)c2OC)O1
InChIInChI=1S/C24H27NO9/c1-28-16-11-7-9-14(20(16)30-3)13-25-19(15-10-8-12-17(29-2)21(15)31-4)18(23(26)32-5)22(34-25)24(27)33-6/h7-12,19H,13H2,1-6H3
InChIKeyFNUOCCLFAVQLAR-UHFFFAOYSA-N
XLogP2.81
TPSA101.99 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.48
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of dimethyl 3-(2,3-dimethoxyphenyl)-2-[(2,3-dimethoxyphenyl)methyl]-3H-1,2-oxazole-4,5-dicarboxylate?
The IUPAC name of dimethyl 3-(2,3-dimethoxyphenyl)-2-[(2,3-dimethoxyphenyl)methyl]-3H-1,2-oxazole-4,5-dicarboxylate (CID 101426959) is dimethyl 3-(2,3-dimethoxyphenyl)-2-[(2,3-dimethoxyphenyl)methyl]-3H-1,2-oxazole-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 3-(2,3-dimethoxyphenyl)-2-[(2,3-dimethoxyphenyl)methyl]-3H-1,2-oxazole-4,5-dicarboxylate?
The canonical SMILES for dimethyl 3-(2,3-dimethoxyphenyl)-2-[(2,3-dimethoxyphenyl)methyl]-3H-1,2-oxazole-4,5-dicarboxylate is COC(=O)C1=C(C(=O)OC)C(c2cccc(OC)c2OC)N(Cc2cccc(OC)c2OC)O1.
What is the InChIKey of dimethyl 3-(2,3-dimethoxyphenyl)-2-[(2,3-dimethoxyphenyl)methyl]-3H-1,2-oxazole-4,5-dicarboxylate?
The InChIKey is FNUOCCLFAVQLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO9/c1-28-16-11-7-9-14(20(16)30-3)13-25-19(15-10-8-12-17(29-2)21(15)31-4)18(23(26)32-5)22(34-25)24(27)33-6/h7-12,19H,13H2,1-6H3.
What are the key properties of dimethyl 3-(2,3-dimethoxyphenyl)-2-[(2,3-dimethoxyphenyl)methyl]-3H-1,2-oxazole-4,5-dicarboxylate?
dimethyl 3-(2,3-dimethoxyphenyl)-2-[(2,3-dimethoxyphenyl)methyl]-3H-1,2-oxazole-4,5-dicarboxylate has a molecular weight of 473.48 g/mol, XLogP of 2.81, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-(2,3-dimethoxyphenyl)-2-[(2,3-dimethoxyphenyl)methyl]-3H-1,2-oxazole-4,5-dicarboxylate is sourced from PubChem (CID 101426959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).