3,4,5-tritert-butyl-1,2-oxazole

C15H27NO — CID 21040090

IUPAC3,4,5-tritert-butyl-1,2-oxazole
SMILESCC(C)(C)c1noc(C(C)(C)C)c1C(C)(C)C
InChIInChI=1S/C15H27NO/c1-13(2,3)10-11(14(4,5)6)16-17-12(10)15(7,8)9/h1-9H3
InChIKeyHQDSKDLLGQOKHU-UHFFFAOYSA-N
MW237.39 g/mol
LogP4.57
Rot. Bonds

About 3,4,5-tritert-butyl-1,2-oxazole

3,4,5-tritert-butyl-1,2-oxazole (PubChem CID 21040090) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 3,4,5-tritert-butyl-1,2-oxazole.

Molecular Properties

Compound Name3,4,5-tritert-butyl-1,2-oxazole
PubChem CID21040090
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name3,4,5-tritert-butyl-1,2-oxazole
SMILESCC(C)(C)c1noc(C(C)(C)C)c1C(C)(C)C
InChIInChI=1S/C15H27NO/c1-13(2,3)10-11(14(4,5)6)16-17-12(10)15(7,8)9/h1-9H3
InChIKeyHQDSKDLLGQOKHU-UHFFFAOYSA-N
XLogP4.57
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-tritert-butyl-1,2-oxazole?
The IUPAC name of 3,4,5-tritert-butyl-1,2-oxazole (CID 21040090) is 3,4,5-tritert-butyl-1,2-oxazole.
What is the SMILES notation for 3,4,5-tritert-butyl-1,2-oxazole?
The canonical SMILES for 3,4,5-tritert-butyl-1,2-oxazole is CC(C)(C)c1noc(C(C)(C)C)c1C(C)(C)C.
What is the InChIKey of 3,4,5-tritert-butyl-1,2-oxazole?
The InChIKey is HQDSKDLLGQOKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-13(2,3)10-11(14(4,5)6)16-17-12(10)15(7,8)9/h1-9H3.
What are the key properties of 3,4,5-tritert-butyl-1,2-oxazole?
3,4,5-tritert-butyl-1,2-oxazole has a molecular weight of 237.39 g/mol, XLogP of 4.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-tritert-butyl-1,2-oxazole is sourced from PubChem (CID 21040090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).