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

C7H13NO2 — CID 3041075

IUPAC2-(methoxymethyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCOCC1=NC(C)(C)CO1
InChIInChI=1S/C7H13NO2/c1-7(2)5-10-6(8-7)4-9-3/h4-5H2,1-3H3
InChIKeyONMRSDGRLVKJMN-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.84
Rot. Bonds2

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

2-(methoxymethyl)-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 3041075) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-(methoxymethyl)-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-(methoxymethyl)-4,4-dimethyl-5H-1,3-oxazole
PubChem CID3041075
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name2-(methoxymethyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCOCC1=NC(C)(C)CO1
InChIInChI=1S/C7H13NO2/c1-7(2)5-10-6(8-7)4-9-3/h4-5H2,1-3H3
InChIKeyONMRSDGRLVKJMN-UHFFFAOYSA-N
XLogP0.84
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(methoxymethyl)-4,4-dimethyl-5H-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-(methoxymethyl)-4,4-dimethyl-5H-1,3-oxazole (CID 3041075) is 2-(methoxymethyl)-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-(methoxymethyl)-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-(methoxymethyl)-4,4-dimethyl-5H-1,3-oxazole is COCC1=NC(C)(C)CO1.
What is the InChIKey of 2-(methoxymethyl)-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is ONMRSDGRLVKJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-7(2)5-10-6(8-7)4-9-3/h4-5H2,1-3H3.
What are the key properties of 2-(methoxymethyl)-4,4-dimethyl-5H-1,3-oxazole?
2-(methoxymethyl)-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 143.19 g/mol, XLogP of 0.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 3041075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).