2-tert-butyl-5-methyl-4,5-dihydro-1,3-oxazole

C8H15NO — CID 12824750

IUPAC2-tert-butyl-5-methyl-4,5-dihydro-1,3-oxazole
SMILESCC1CN=C(C(C)(C)C)O1
InChIInChI=1S/C8H15NO/c1-6-5-9-7(10-6)8(2,3)4/h6H,5H2,1-4H3
InChIKeyPULMLFYZAQIJDA-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.85
Rot. Bonds

About 2-tert-butyl-5-methyl-4,5-dihydro-1,3-oxazole

2-tert-butyl-5-methyl-4,5-dihydro-1,3-oxazole (PubChem CID 12824750) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-tert-butyl-5-methyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-tert-butyl-5-methyl-4,5-dihydro-1,3-oxazole
PubChem CID12824750
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-tert-butyl-5-methyl-4,5-dihydro-1,3-oxazole
SMILESCC1CN=C(C(C)(C)C)O1
InChIInChI=1S/C8H15NO/c1-6-5-9-7(10-6)8(2,3)4/h6H,5H2,1-4H3
InChIKeyPULMLFYZAQIJDA-UHFFFAOYSA-N
XLogP1.85
TPSA21.59 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 ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-tert-butyl-5-methyl-4,5-dihydro-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-tert-butyl-5-methyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-tert-butyl-5-methyl-4,5-dihydro-1,3-oxazole (CID 12824750) is 2-tert-butyl-5-methyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-tert-butyl-5-methyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-tert-butyl-5-methyl-4,5-dihydro-1,3-oxazole is CC1CN=C(C(C)(C)C)O1.
What is the InChIKey of 2-tert-butyl-5-methyl-4,5-dihydro-1,3-oxazole?
The InChIKey is PULMLFYZAQIJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-6-5-9-7(10-6)8(2,3)4/h6H,5H2,1-4H3.
What are the key properties of 2-tert-butyl-5-methyl-4,5-dihydro-1,3-oxazole?
2-tert-butyl-5-methyl-4,5-dihydro-1,3-oxazole has a molecular weight of 141.21 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 12824750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).