3-tert-butyl-5-methyl-2H-1,3-oxazole

C8H15NO — CID 69303433

IUPAC3-tert-butyl-5-methyl-2H-1,3-oxazole
SMILESCC1=CN(C(C)(C)C)CO1
InChIInChI=1S/C8H15NO/c1-7-5-9(6-10-7)8(2,3)4/h5H,6H2,1-4H3
InChIKeyYQOKFMVNGBFXOU-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.94
Rot. Bonds

About 3-tert-butyl-5-methyl-2H-1,3-oxazole

3-tert-butyl-5-methyl-2H-1,3-oxazole (PubChem CID 69303433) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 3-tert-butyl-5-methyl-2H-1,3-oxazole.

Molecular Properties

Compound Name3-tert-butyl-5-methyl-2H-1,3-oxazole
PubChem CID69303433
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name3-tert-butyl-5-methyl-2H-1,3-oxazole
SMILESCC1=CN(C(C)(C)C)CO1
InChIInChI=1S/C8H15NO/c1-7-5-9(6-10-7)8(2,3)4/h5H,6H2,1-4H3
InChIKeyYQOKFMVNGBFXOU-UHFFFAOYSA-N
XLogP1.94
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-methyl-2H-1,3-oxazole?
The IUPAC name of 3-tert-butyl-5-methyl-2H-1,3-oxazole (CID 69303433) is 3-tert-butyl-5-methyl-2H-1,3-oxazole.
What is the SMILES notation for 3-tert-butyl-5-methyl-2H-1,3-oxazole?
The canonical SMILES for 3-tert-butyl-5-methyl-2H-1,3-oxazole is CC1=CN(C(C)(C)C)CO1.
What is the InChIKey of 3-tert-butyl-5-methyl-2H-1,3-oxazole?
The InChIKey is YQOKFMVNGBFXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-7-5-9(6-10-7)8(2,3)4/h5H,6H2,1-4H3.
What are the key properties of 3-tert-butyl-5-methyl-2H-1,3-oxazole?
3-tert-butyl-5-methyl-2H-1,3-oxazole has a molecular weight of 141.21 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-methyl-2H-1,3-oxazole is sourced from PubChem (CID 69303433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).