methyl 5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylate

C13H13NO5 — CID 645390

IUPACmethyl 5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(OC)c(OC)c2)on1
InChIInChI=1S/C13H13NO5/c1-16-10-5-4-8(6-12(10)17-2)11-7-9(14-19-11)13(15)18-3/h4-7H,1-3H3
InChIKeyWHIZBBOEHIOEDP-UHFFFAOYSA-N
MW263.25 g/mol
LogP2.15
Rot. Bonds4

About methyl 5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylate

methyl 5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylate (PubChem CID 645390) has the molecular formula C13H13NO5 and a molecular weight of 263.25 g/mol. Its IUPAC name is methyl 5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylate
PubChem CID645390
Molecular FormulaC13H13NO5
Molecular Weight263.25 g/mol
Exact Mass263.08
IUPAC Namemethyl 5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(OC)c(OC)c2)on1
InChIInChI=1S/C13H13NO5/c1-16-10-5-4-8(6-12(10)17-2)11-7-9(14-19-11)13(15)18-3/h4-7H,1-3H3
InChIKeyWHIZBBOEHIOEDP-UHFFFAOYSA-N
XLogP2.15
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-Methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 1090978
Methyl 5-(4-methoxyphenyl)-3-isoxazolecarboxylate
CID 752781
Methyl 5-phenyl-1,2-oxazole-3-carboxylate
CID 905953
Cyanomethyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate
CID 2085889
Isoxazole, 5-(5-(4-(4,5-dihydro-2-oxazolyl)-2-methoxyphenoxy)pentyl)-3-methyl-
CID 5271230
5-(3-Methoxyphenyl)isoxazole-3-carboxylic acid
CID 1090979
5-(4-Hydroxyphenyl)isoxazole-3-carboxylic acid
CID 1090983
5-(3,4-Dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 1090980
[2-(3,4-Dimethoxyphenyl)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 7660675
Methyl 5-(3-methoxyphenyl)isoxazole-3-carboxylate
CID 650706
3-Methylphenyl 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxylate
CID 16015717
2-Methylphenyl 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxylate
CID 16015719

Frequently Asked Questions

What is the IUPAC name of methyl 5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylate?
The IUPAC name of methyl 5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylate (CID 645390) is methyl 5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylate.
What is the SMILES notation for methyl 5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylate?
The canonical SMILES for methyl 5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylate is COC(=O)c1cc(-c2ccc(OC)c(OC)c2)on1.
What is the InChIKey of methyl 5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylate?
The InChIKey is WHIZBBOEHIOEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5/c1-16-10-5-4-8(6-12(10)17-2)11-7-9(14-19-11)13(15)18-3/h4-7H,1-3H3.
What are the key properties of methyl 5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylate?
methyl 5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylate has a molecular weight of 263.25 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 645390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).