4-(dimethoxymethyl)-2-(2-methyl-1,3-oxazol-4-yl)-1,3-oxazole

C10H12N2O4 — CID 11206856

IUPAC4-(dimethoxymethyl)-2-(2-methyl-1,3-oxazol-4-yl)-1,3-oxazole
SMILESCOC(OC)c1coc(-c2coc(C)n2)n1
InChIInChI=1S/C10H12N2O4/c1-6-11-7(4-15-6)9-12-8(5-16-9)10(13-2)14-3/h4-5,10H,1-3H3
InChIKeyVLAINHBMIUFGKY-UHFFFAOYSA-N
MW224.22 g/mol
LogP1.93
Rot. Bonds4

About 4-(dimethoxymethyl)-2-(2-methyl-1,3-oxazol-4-yl)-1,3-oxazole

4-(dimethoxymethyl)-2-(2-methyl-1,3-oxazol-4-yl)-1,3-oxazole (PubChem CID 11206856) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 4-(dimethoxymethyl)-2-(2-methyl-1,3-oxazol-4-yl)-1,3-oxazole.

Molecular Properties

Compound Name4-(dimethoxymethyl)-2-(2-methyl-1,3-oxazol-4-yl)-1,3-oxazole
PubChem CID11206856
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name4-(dimethoxymethyl)-2-(2-methyl-1,3-oxazol-4-yl)-1,3-oxazole
SMILESCOC(OC)c1coc(-c2coc(C)n2)n1
InChIInChI=1S/C10H12N2O4/c1-6-11-7(4-15-6)9-12-8(5-16-9)10(13-2)14-3/h4-5,10H,1-3H3
InChIKeyVLAINHBMIUFGKY-UHFFFAOYSA-N
XLogP1.93
TPSA70.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethoxymethyl)-2-(2-methyl-1,3-oxazol-4-yl)-1,3-oxazole?
The IUPAC name of 4-(dimethoxymethyl)-2-(2-methyl-1,3-oxazol-4-yl)-1,3-oxazole (CID 11206856) is 4-(dimethoxymethyl)-2-(2-methyl-1,3-oxazol-4-yl)-1,3-oxazole.
What is the SMILES notation for 4-(dimethoxymethyl)-2-(2-methyl-1,3-oxazol-4-yl)-1,3-oxazole?
The canonical SMILES for 4-(dimethoxymethyl)-2-(2-methyl-1,3-oxazol-4-yl)-1,3-oxazole is COC(OC)c1coc(-c2coc(C)n2)n1.
What is the InChIKey of 4-(dimethoxymethyl)-2-(2-methyl-1,3-oxazol-4-yl)-1,3-oxazole?
The InChIKey is VLAINHBMIUFGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-6-11-7(4-15-6)9-12-8(5-16-9)10(13-2)14-3/h4-5,10H,1-3H3.
What are the key properties of 4-(dimethoxymethyl)-2-(2-methyl-1,3-oxazol-4-yl)-1,3-oxazole?
4-(dimethoxymethyl)-2-(2-methyl-1,3-oxazol-4-yl)-1,3-oxazole has a molecular weight of 224.22 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethyl)-2-(2-methyl-1,3-oxazol-4-yl)-1,3-oxazole is sourced from PubChem (CID 11206856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).