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

C11H21NO — CID 18738408

IUPAC3,5-ditert-butyl-4,5-dihydro-1,2-oxazole
SMILESCC(C)(C)C1=NOC(C(C)(C)C)C1
InChIInChI=1S/C11H21NO/c1-10(2,3)8-7-9(13-12-8)11(4,5)6/h9H,7H2,1-6H3
InChIKeyYCQAWCOXOYGNLF-UHFFFAOYSA-N
MW183.29 g/mol
LogP3.22
Rot. Bonds

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

3,5-ditert-butyl-4,5-dihydro-1,2-oxazole (PubChem CID 18738408) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3,5-ditert-butyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3,5-ditert-butyl-4,5-dihydro-1,2-oxazole
PubChem CID18738408
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3,5-ditert-butyl-4,5-dihydro-1,2-oxazole
SMILESCC(C)(C)C1=NOC(C(C)(C)C)C1
InChIInChI=1S/C11H21NO/c1-10(2,3)8-7-9(13-12-8)11(4,5)6/h9H,7H2,1-6H3
InChIKeyYCQAWCOXOYGNLF-UHFFFAOYSA-N
XLogP3.22
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3,5-ditert-butyl-4,5-dihydro-1,2-oxazole (CID 18738408) is 3,5-ditert-butyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3,5-ditert-butyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3,5-ditert-butyl-4,5-dihydro-1,2-oxazole is CC(C)(C)C1=NOC(C(C)(C)C)C1.
What is the InChIKey of 3,5-ditert-butyl-4,5-dihydro-1,2-oxazole?
The InChIKey is YCQAWCOXOYGNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-10(2,3)8-7-9(13-12-8)11(4,5)6/h9H,7H2,1-6H3.
What are the key properties of 3,5-ditert-butyl-4,5-dihydro-1,2-oxazole?
3,5-ditert-butyl-4,5-dihydro-1,2-oxazole has a molecular weight of 183.29 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 18738408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).