4-tert-butyl-2-(3,3-dimethylbutyl)-1,3-oxazole

C13H23NO — CID 139460691

IUPAC4-tert-butyl-2-(3,3-dimethylbutyl)-1,3-oxazole
SMILESCC(C)(C)CCc1nc(C(C)(C)C)co1
InChIInChI=1S/C13H23NO/c1-12(2,3)8-7-11-14-10(9-15-11)13(4,5)6/h9H,7-8H2,1-6H3
InChIKeyQYJXDOYZLJJMCL-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.95
Rot. Bonds2

About 4-tert-butyl-2-(3,3-dimethylbutyl)-1,3-oxazole

4-tert-butyl-2-(3,3-dimethylbutyl)-1,3-oxazole (PubChem CID 139460691) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 4-tert-butyl-2-(3,3-dimethylbutyl)-1,3-oxazole.

Molecular Properties

Compound Name4-tert-butyl-2-(3,3-dimethylbutyl)-1,3-oxazole
PubChem CID139460691
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name4-tert-butyl-2-(3,3-dimethylbutyl)-1,3-oxazole
SMILESCC(C)(C)CCc1nc(C(C)(C)C)co1
InChIInChI=1S/C13H23NO/c1-12(2,3)8-7-11-14-10(9-15-11)13(4,5)6/h9H,7-8H2,1-6H3
InChIKeyQYJXDOYZLJJMCL-UHFFFAOYSA-N
XLogP3.95
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(3,3-dimethylbutyl)-1,3-oxazole?
The IUPAC name of 4-tert-butyl-2-(3,3-dimethylbutyl)-1,3-oxazole (CID 139460691) is 4-tert-butyl-2-(3,3-dimethylbutyl)-1,3-oxazole.
What is the SMILES notation for 4-tert-butyl-2-(3,3-dimethylbutyl)-1,3-oxazole?
The canonical SMILES for 4-tert-butyl-2-(3,3-dimethylbutyl)-1,3-oxazole is CC(C)(C)CCc1nc(C(C)(C)C)co1.
What is the InChIKey of 4-tert-butyl-2-(3,3-dimethylbutyl)-1,3-oxazole?
The InChIKey is QYJXDOYZLJJMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-12(2,3)8-7-11-14-10(9-15-11)13(4,5)6/h9H,7-8H2,1-6H3.
What are the key properties of 4-tert-butyl-2-(3,3-dimethylbutyl)-1,3-oxazole?
4-tert-butyl-2-(3,3-dimethylbutyl)-1,3-oxazole has a molecular weight of 209.33 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(3,3-dimethylbutyl)-1,3-oxazole is sourced from PubChem (CID 139460691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).