4,5-ditert-butyl-2,3-dihydro-1,3-oxazole

C11H21NO — CID 155649452

IUPAC4,5-ditert-butyl-2,3-dihydro-1,3-oxazole
SMILESCC(C)(C)C1=C(C(C)(C)C)OCN1
InChIInChI=1S/C11H21NO/c1-10(2,3)8-9(11(4,5)6)13-7-12-8/h12H,7H2,1-6H3
InChIKeyCULDFCANRMUIFS-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.87
Rot. Bonds

About 4,5-ditert-butyl-2,3-dihydro-1,3-oxazole

4,5-ditert-butyl-2,3-dihydro-1,3-oxazole (PubChem CID 155649452) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 4,5-ditert-butyl-2,3-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4,5-ditert-butyl-2,3-dihydro-1,3-oxazole
PubChem CID155649452
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name4,5-ditert-butyl-2,3-dihydro-1,3-oxazole
SMILESCC(C)(C)C1=C(C(C)(C)C)OCN1
InChIInChI=1S/C11H21NO/c1-10(2,3)8-9(11(4,5)6)13-7-12-8/h12H,7H2,1-6H3
InChIKeyCULDFCANRMUIFS-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,5-ditert-butyl-2,3-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

Related Compounds

4,5-Di(propan-2-yl)-2,3-dihydro-1,3-oxazole
CID 57632385
5-Tert-butyl-4-propan-2-yl-2,3-dihydro-1,3-oxazole
CID 68010833
5-Ethyl-4-methyl-2,3-dihydro-1,3-oxazole
CID 68018582
5-Methyl-4-propan-2-yl-2,3-dihydro-1,3-oxazole
CID 68199268
4-methoxy-N,2-dimethylhex-3-en-3-amine
CID 140101348
4-methoxy-N,5-dimethylhex-3-en-3-amine
CID 140101371
4-Methyl-5-propan-2-yl-2,3-dihydro-1,3-oxazole
CID 142573225
5-Ethyl-4-propan-2-yl-2,3-dihydro-1,3-oxazole
CID 145510184
Ethane;4-ethyl-5-propan-2-yl-2,3-dihydro-1,3-oxazole
CID 155701998
4-Ethyl-5-propan-2-yl-2,3-dihydro-1,3-oxazole
CID 155701999
carbanide;(Z)-N-methanidyl-3-methoxypent-2-en-2-amine;2-methylpropane;uranium(4+)
CID 163487059
4,5-Diethyl-2,3-dihydro-1,3-oxazole
CID 169580981

Frequently Asked Questions

What is the IUPAC name of 4,5-ditert-butyl-2,3-dihydro-1,3-oxazole?
The IUPAC name of 4,5-ditert-butyl-2,3-dihydro-1,3-oxazole (CID 155649452) is 4,5-ditert-butyl-2,3-dihydro-1,3-oxazole.
What is the SMILES notation for 4,5-ditert-butyl-2,3-dihydro-1,3-oxazole?
The canonical SMILES for 4,5-ditert-butyl-2,3-dihydro-1,3-oxazole is CC(C)(C)C1=C(C(C)(C)C)OCN1.
What is the InChIKey of 4,5-ditert-butyl-2,3-dihydro-1,3-oxazole?
The InChIKey is CULDFCANRMUIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-10(2,3)8-9(11(4,5)6)13-7-12-8/h12H,7H2,1-6H3.
What are the key properties of 4,5-ditert-butyl-2,3-dihydro-1,3-oxazole?
4,5-ditert-butyl-2,3-dihydro-1,3-oxazole has a molecular weight of 183.29 g/mol, XLogP of 2.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-ditert-butyl-2,3-dihydro-1,3-oxazole is sourced from PubChem (CID 155649452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).