2-(dimethoxymethyl)-4,4-dimethyl-5H-1,3-oxazole

C8H15NO3 — CID 10103634

IUPAC2-(dimethoxymethyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCOC(OC)C1=NC(C)(C)CO1
InChIInChI=1S/C8H15NO3/c1-8(2)5-12-6(9-8)7(10-3)11-4/h7H,5H2,1-4H3
InChIKeyRUQIOBBXUWPPGJ-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.81
Rot. Bonds3

About 2-(dimethoxymethyl)-4,4-dimethyl-5H-1,3-oxazole

2-(dimethoxymethyl)-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 10103634) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-(dimethoxymethyl)-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-(dimethoxymethyl)-4,4-dimethyl-5H-1,3-oxazole
PubChem CID10103634
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name2-(dimethoxymethyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCOC(OC)C1=NC(C)(C)CO1
InChIInChI=1S/C8H15NO3/c1-8(2)5-12-6(9-8)7(10-3)11-4/h7H,5H2,1-4H3
InChIKeyRUQIOBBXUWPPGJ-UHFFFAOYSA-N
XLogP0.81
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-(dimethoxymethyl)-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-(dimethoxymethyl)-4,4-dimethyl-5H-1,3-oxazole (CID 10103634) is 2-(dimethoxymethyl)-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-(dimethoxymethyl)-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-(dimethoxymethyl)-4,4-dimethyl-5H-1,3-oxazole is COC(OC)C1=NC(C)(C)CO1.
What is the InChIKey of 2-(dimethoxymethyl)-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is RUQIOBBXUWPPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-8(2)5-12-6(9-8)7(10-3)11-4/h7H,5H2,1-4H3.
What are the key properties of 2-(dimethoxymethyl)-4,4-dimethyl-5H-1,3-oxazole?
2-(dimethoxymethyl)-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 173.21 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethoxymethyl)-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 10103634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).