methyl 5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxybenzoate

C21H21NO6 — CID 58178223

IUPACmethyl 5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxybenzoate
SMILESCOC(=O)c1cc(-c2conc2-c2cc(C)c(OC)c(OC)c2)ccc1OC
InChIInChI=1S/C21H21NO6/c1-12-8-14(10-18(25-3)20(12)26-4)19-16(11-28-22-19)13-6-7-17(24-2)15(9-13)21(23)27-5/h6-11H,1-5H3
InChIKeyKQMPJFAJDMUBNU-UHFFFAOYSA-N
MW383.40 g/mol
LogP4.13
Rot. Bonds6

About methyl 5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxybenzoate

methyl 5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxybenzoate (PubChem CID 58178223) has the molecular formula C21H21NO6 and a molecular weight of 383.40 g/mol. Its IUPAC name is methyl 5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxybenzoate
PubChem CID58178223
Molecular FormulaC21H21NO6
Molecular Weight383.40 g/mol
Exact Mass383.14
IUPAC Namemethyl 5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxybenzoate
SMILESCOC(=O)c1cc(-c2conc2-c2cc(C)c(OC)c(OC)c2)ccc1OC
InChIInChI=1S/C21H21NO6/c1-12-8-14(10-18(25-3)20(12)26-4)19-16(11-28-22-19)13-6-7-17(24-2)15(9-13)21(23)27-5/h6-11H,1-5H3
InChIKeyKQMPJFAJDMUBNU-UHFFFAOYSA-N
XLogP4.13
TPSA80.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-N-[5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxyphenyl]propanamide;hydrochloride
CID 123477282
[1-[5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxyanilino]-3-methyl-1-oxopentan-2-yl]azanium
CID 58178347
[5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2,3-dimethoxyphenyl] dihydrogen phosphate
CID 58178345
[1-[5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxyanilino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]azanium chloride
CID 123620706
3-amino-1-[5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxyphenyl]-4-(4-methoxyphenyl)butan-2-one
CID 58178114
methyl 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]benzoate
CID 25030257
4-(3-fluoro-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 58177948
sodium;hydride;[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl] dihydrogen phosphate
CID 173032615
2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-4-yl]benzoate
CID 58712055
methyl 3-(4-hydroxy-3-methoxyphenyl)-1,2-oxazole-4-carboxylate
CID 870102
4-(4-propan-2-ylphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 58712207
4-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide
CID 135391735

Frequently Asked Questions

What is the IUPAC name of methyl 5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxybenzoate?
The IUPAC name of methyl 5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxybenzoate (CID 58178223) is methyl 5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxybenzoate.
What is the SMILES notation for methyl 5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxybenzoate?
The canonical SMILES for methyl 5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxybenzoate is COC(=O)c1cc(-c2conc2-c2cc(C)c(OC)c(OC)c2)ccc1OC.
What is the InChIKey of methyl 5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxybenzoate?
The InChIKey is KQMPJFAJDMUBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO6/c1-12-8-14(10-18(25-3)20(12)26-4)19-16(11-28-22-19)13-6-7-17(24-2)15(9-13)21(23)27-5/h6-11H,1-5H3.
What are the key properties of methyl 5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxybenzoate?
methyl 5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxybenzoate has a molecular weight of 383.40 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxybenzoate is sourced from PubChem (CID 58178223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).