2-tert-butyl-6-(2-methylbutan-2-yl)-1,3-benzoxazole

C16H23NO — CID 122642759

IUPAC2-tert-butyl-6-(2-methylbutan-2-yl)-1,3-benzoxazole
SMILESCCC(C)(C)c1ccc2nc(C(C)(C)C)oc2c1
InChIInChI=1S/C16H23NO/c1-7-16(5,6)11-8-9-12-13(10-11)18-14(17-12)15(2,3)4/h8-10H,7H2,1-6H3
InChIKeyZZUQHKAUULNEPA-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.81
Rot. Bonds2

About 2-tert-butyl-6-(2-methylbutan-2-yl)-1,3-benzoxazole

2-tert-butyl-6-(2-methylbutan-2-yl)-1,3-benzoxazole (PubChem CID 122642759) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-tert-butyl-6-(2-methylbutan-2-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-tert-butyl-6-(2-methylbutan-2-yl)-1,3-benzoxazole
PubChem CID122642759
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-tert-butyl-6-(2-methylbutan-2-yl)-1,3-benzoxazole
SMILESCCC(C)(C)c1ccc2nc(C(C)(C)C)oc2c1
InChIInChI=1S/C16H23NO/c1-7-16(5,6)11-8-9-12-13(10-11)18-14(17-12)15(2,3)4/h8-10H,7H2,1-6H3
InChIKeyZZUQHKAUULNEPA-UHFFFAOYSA-N
XLogP4.81
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-1,3-benzoxazol-6-amine
CID 39112039
2-(2-methylbutan-2-yl)-6-[4-(2-methylbutan-2-yl)phenyl]-[1,3]oxazolo[4,5-f][1,3]benzoxazole
CID 70925191
5-tert-butyl-2-(3-methylpentan-3-yl)-1,3-benzoxazole
CID 122642760
2-(2-methylbutan-2-yl)-6-[2-[3-methyl-4-(2-methylbutan-2-yl)phenyl]-1,3-benzoxazol-6-yl]-1,3-benzoxazole
CID 71023593
N-[2-methyl-2-(2-methyl-1,3-benzoxazol-6-yl)propyl]carbamoyl bromide
CID 115194279
2-(6-methoxy-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine
CID 102696213
2-(2-methylpentan-2-yl)-1,3-benzoxazole
CID 139407128
6-tert-butyl-2-(methylsulfonylmethyl)-1,3-benzoxazole
CID 58209111
2-tert-butyl-5-(2-methylbutan-2-yl)-1,3-benzothiazole
CID 71228887
2-(2-methyl-1,3-benzoxazol-6-yl)propane-2-thiol
CID 116866628
2-(2-methyl-1,3-benzoxazol-6-yl)propan-2-amine
CID 82403969
2,6-ditert-butyl-4-fluoro-1,3-benzoxazole
CID 134411036

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(2-methylbutan-2-yl)-1,3-benzoxazole?
The IUPAC name of 2-tert-butyl-6-(2-methylbutan-2-yl)-1,3-benzoxazole (CID 122642759) is 2-tert-butyl-6-(2-methylbutan-2-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-tert-butyl-6-(2-methylbutan-2-yl)-1,3-benzoxazole?
The canonical SMILES for 2-tert-butyl-6-(2-methylbutan-2-yl)-1,3-benzoxazole is CCC(C)(C)c1ccc2nc(C(C)(C)C)oc2c1.
What is the InChIKey of 2-tert-butyl-6-(2-methylbutan-2-yl)-1,3-benzoxazole?
The InChIKey is ZZUQHKAUULNEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-7-16(5,6)11-8-9-12-13(10-11)18-14(17-12)15(2,3)4/h8-10H,7H2,1-6H3.
What are the key properties of 2-tert-butyl-6-(2-methylbutan-2-yl)-1,3-benzoxazole?
2-tert-butyl-6-(2-methylbutan-2-yl)-1,3-benzoxazole has a molecular weight of 245.37 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(2-methylbutan-2-yl)-1,3-benzoxazole is sourced from PubChem (CID 122642759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).