methyl 2-[2-[2-(acetyloxymethyl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate

C14H11N3O7 — CID 11034970

IUPACmethyl 2-[2-[2-(acetyloxymethyl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1coc(-c2coc(-c3coc(COC(C)=O)n3)n2)n1
InChIInChI=1S/C14H11N3O7/c1-7(18)21-6-11-15-8(3-22-11)12-16-9(4-23-12)13-17-10(5-24-13)14(19)20-2/h3-5H,6H2,1-2H3
InChIKeyUZOQSDWHOKJUMS-UHFFFAOYSA-N
MW333.26 g/mol
LogP1.83
Rot. Bonds5

About methyl 2-[2-[2-(acetyloxymethyl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate

methyl 2-[2-[2-(acetyloxymethyl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate (PubChem CID 11034970) has the molecular formula C14H11N3O7 and a molecular weight of 333.26 g/mol. Its IUPAC name is methyl 2-[2-[2-(acetyloxymethyl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-[2-(acetyloxymethyl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
PubChem CID11034970
Molecular FormulaC14H11N3O7
Molecular Weight333.26 g/mol
Exact Mass333.06
IUPAC Namemethyl 2-[2-[2-(acetyloxymethyl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1coc(-c2coc(-c3coc(COC(C)=O)n3)n2)n1
InChIInChI=1S/C14H11N3O7/c1-7(18)21-6-11-15-8(3-22-11)12-16-9(4-23-12)13-17-10(5-24-13)14(19)20-2/h3-5H,6H2,1-2H3
InChIKeyUZOQSDWHOKJUMS-UHFFFAOYSA-N
XLogP1.83
TPSA130.69 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze methyl 2-[2-[2-(acetyloxymethyl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[2-(acetyloxymethyl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-[2-[2-(acetyloxymethyl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate (CID 11034970) is methyl 2-[2-[2-(acetyloxymethyl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-[2-[2-(acetyloxymethyl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-[2-[2-(acetyloxymethyl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate is COC(=O)c1coc(-c2coc(-c3coc(COC(C)=O)n3)n2)n1.
What is the InChIKey of methyl 2-[2-[2-(acetyloxymethyl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate?
The InChIKey is UZOQSDWHOKJUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O7/c1-7(18)21-6-11-15-8(3-22-11)12-16-9(4-23-12)13-17-10(5-24-13)14(19)20-2/h3-5H,6H2,1-2H3.
What are the key properties of methyl 2-[2-[2-(acetyloxymethyl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate?
methyl 2-[2-[2-(acetyloxymethyl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate has a molecular weight of 333.26 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[2-(acetyloxymethyl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 11034970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).