2-tert-butylfuran;3-tert-butyl-1,2-oxazole

C15H23NO2 — CID 157469679

IUPAC2-tert-butylfuran;3-tert-butyl-1,2-oxazole
SMILESCC(C)(C)c1ccco1.CC(C)(C)c1ccon1
InChIInChI=1S/C8H12O.C7H11NO/c1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-5-9-8-6/h4-6H,1-3H3;4-5H,1-3H3
InChIKeyBUWPHMCHQQVNKV-UHFFFAOYSA-N
MW249.35 g/mol
LogP4.55
Rot. Bonds

About 2-tert-butylfuran;3-tert-butyl-1,2-oxazole

2-tert-butylfuran;3-tert-butyl-1,2-oxazole (PubChem CID 157469679) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-tert-butylfuran;3-tert-butyl-1,2-oxazole.

Molecular Properties

Compound Name2-tert-butylfuran;3-tert-butyl-1,2-oxazole
PubChem CID157469679
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-tert-butylfuran;3-tert-butyl-1,2-oxazole
SMILESCC(C)(C)c1ccco1.CC(C)(C)c1ccon1
InChIInChI=1S/C8H12O.C7H11NO/c1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-5-9-8-6/h4-6H,1-3H3;4-5H,1-3H3
InChIKeyBUWPHMCHQQVNKV-UHFFFAOYSA-N
XLogP4.55
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylfuran;3-tert-butyl-1,2-oxazole?
The IUPAC name of 2-tert-butylfuran;3-tert-butyl-1,2-oxazole (CID 157469679) is 2-tert-butylfuran;3-tert-butyl-1,2-oxazole.
What is the SMILES notation for 2-tert-butylfuran;3-tert-butyl-1,2-oxazole?
The canonical SMILES for 2-tert-butylfuran;3-tert-butyl-1,2-oxazole is CC(C)(C)c1ccco1.CC(C)(C)c1ccon1.
What is the InChIKey of 2-tert-butylfuran;3-tert-butyl-1,2-oxazole?
The InChIKey is BUWPHMCHQQVNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O.C7H11NO/c1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-5-9-8-6/h4-6H,1-3H3;4-5H,1-3H3.
What are the key properties of 2-tert-butylfuran;3-tert-butyl-1,2-oxazole?
2-tert-butylfuran;3-tert-butyl-1,2-oxazole has a molecular weight of 249.35 g/mol, XLogP of 4.55, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylfuran;3-tert-butyl-1,2-oxazole is sourced from PubChem (CID 157469679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).