3-[(2-methylpropan-2-yl)oxymethyl]-4,5-dihydro-1,2-oxazole

C8H15NO2 — CID 137447745

IUPAC3-[(2-methylpropan-2-yl)oxymethyl]-4,5-dihydro-1,2-oxazole
SMILESCC(C)(C)OCC1=NOCC1
InChIInChI=1S/C8H15NO2/c1-8(2,3)10-6-7-4-5-11-9-7/h4-6H2,1-3H3
InChIKeyVTPYQMGNEKHAOQ-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.58
Rot. Bonds2

About 3-[(2-methylpropan-2-yl)oxymethyl]-4,5-dihydro-1,2-oxazole

3-[(2-methylpropan-2-yl)oxymethyl]-4,5-dihydro-1,2-oxazole (PubChem CID 137447745) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxymethyl]-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxymethyl]-4,5-dihydro-1,2-oxazole
PubChem CID137447745
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name3-[(2-methylpropan-2-yl)oxymethyl]-4,5-dihydro-1,2-oxazole
SMILESCC(C)(C)OCC1=NOCC1
InChIInChI=1S/C8H15NO2/c1-8(2,3)10-6-7-4-5-11-9-7/h4-6H2,1-3H3
InChIKeyVTPYQMGNEKHAOQ-UHFFFAOYSA-N
XLogP1.58
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[(2-methylpropan-2-yl)oxymethyl]-4,5-dihydro-1,2-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 3-[(2-methylpropan-2-yl)oxymethyl]-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxymethyl]-4,5-dihydro-1,2-oxazole (CID 137447745) is 3-[(2-methylpropan-2-yl)oxymethyl]-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxymethyl]-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxymethyl]-4,5-dihydro-1,2-oxazole is CC(C)(C)OCC1=NOCC1.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxymethyl]-4,5-dihydro-1,2-oxazole?
The InChIKey is VTPYQMGNEKHAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-8(2,3)10-6-7-4-5-11-9-7/h4-6H2,1-3H3.
What are the key properties of 3-[(2-methylpropan-2-yl)oxymethyl]-4,5-dihydro-1,2-oxazole?
3-[(2-methylpropan-2-yl)oxymethyl]-4,5-dihydro-1,2-oxazole has a molecular weight of 157.21 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxymethyl]-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 137447745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).