2-tert-butyl-4-(5-tert-butyl-1H-imidazol-2-yl)-1,3-oxazole

C14H21N3O — CID 126493145

IUPAC2-tert-butyl-4-(5-tert-butyl-1H-imidazol-2-yl)-1,3-oxazole
SMILESCC(C)(C)c1cnc(-c2coc(C(C)(C)C)n2)[nH]1
InChIInChI=1S/C14H21N3O/c1-13(2,3)10-7-15-11(17-10)9-8-18-12(16-9)14(4,5)6/h7-8H,1-6H3,(H,15,17)
InChIKeyBRUFNZAVBSWACP-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.66
Rot. Bonds1

About 2-tert-butyl-4-(5-tert-butyl-1H-imidazol-2-yl)-1,3-oxazole

2-tert-butyl-4-(5-tert-butyl-1H-imidazol-2-yl)-1,3-oxazole (PubChem CID 126493145) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-tert-butyl-4-(5-tert-butyl-1H-imidazol-2-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-tert-butyl-4-(5-tert-butyl-1H-imidazol-2-yl)-1,3-oxazole
PubChem CID126493145
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-tert-butyl-4-(5-tert-butyl-1H-imidazol-2-yl)-1,3-oxazole
SMILESCC(C)(C)c1cnc(-c2coc(C(C)(C)C)n2)[nH]1
InChIInChI=1S/C14H21N3O/c1-13(2,3)10-7-15-11(17-10)9-8-18-12(16-9)14(4,5)6/h7-8H,1-6H3,(H,15,17)
InChIKeyBRUFNZAVBSWACP-UHFFFAOYSA-N
XLogP3.66
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(5-tert-butyl-1H-imidazol-2-yl)-1,3-oxazole?
The IUPAC name of 2-tert-butyl-4-(5-tert-butyl-1H-imidazol-2-yl)-1,3-oxazole (CID 126493145) is 2-tert-butyl-4-(5-tert-butyl-1H-imidazol-2-yl)-1,3-oxazole.
What is the SMILES notation for 2-tert-butyl-4-(5-tert-butyl-1H-imidazol-2-yl)-1,3-oxazole?
The canonical SMILES for 2-tert-butyl-4-(5-tert-butyl-1H-imidazol-2-yl)-1,3-oxazole is CC(C)(C)c1cnc(-c2coc(C(C)(C)C)n2)[nH]1.
What is the InChIKey of 2-tert-butyl-4-(5-tert-butyl-1H-imidazol-2-yl)-1,3-oxazole?
The InChIKey is BRUFNZAVBSWACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-13(2,3)10-7-15-11(17-10)9-8-18-12(16-9)14(4,5)6/h7-8H,1-6H3,(H,15,17).
What are the key properties of 2-tert-butyl-4-(5-tert-butyl-1H-imidazol-2-yl)-1,3-oxazole?
2-tert-butyl-4-(5-tert-butyl-1H-imidazol-2-yl)-1,3-oxazole has a molecular weight of 247.34 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(5-tert-butyl-1H-imidazol-2-yl)-1,3-oxazole is sourced from PubChem (CID 126493145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).