4-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazole

C8H13NO2 — CID 139319977

IUPAC4-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazole
SMILESCC(C)(C)OCc1cocn1
InChIInChI=1S/C8H13NO2/c1-8(2,3)11-5-7-4-10-6-9-7/h4,6H,5H2,1-3H3
InChIKeyWTOWKBZOAXJCAG-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.99
Rot. Bonds2

About 4-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazole

4-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazole (PubChem CID 139319977) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 4-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazole.

Molecular Properties

Compound Name4-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazole
PubChem CID139319977
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name4-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazole
SMILESCC(C)(C)OCc1cocn1
InChIInChI=1S/C8H13NO2/c1-8(2,3)11-5-7-4-10-6-9-7/h4,6H,5H2,1-3H3
InChIKeyWTOWKBZOAXJCAG-UHFFFAOYSA-N
XLogP1.99
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(2-methylpropan-2-yl)oxymethyl]-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 4-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazole?
The IUPAC name of 4-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazole (CID 139319977) is 4-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazole.
What is the SMILES notation for 4-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazole?
The canonical SMILES for 4-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazole is CC(C)(C)OCc1cocn1.
What is the InChIKey of 4-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazole?
The InChIKey is WTOWKBZOAXJCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-8(2,3)11-5-7-4-10-6-9-7/h4,6H,5H2,1-3H3.
What are the key properties of 4-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazole?
4-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazole has a molecular weight of 155.20 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazole is sourced from PubChem (CID 139319977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).