5,6-ditert-butyl-1,2-benzoxazol-3-amine

C15H22N2O — CID 59066339

IUPAC5,6-ditert-butyl-1,2-benzoxazol-3-amine
SMILESCC(C)(C)c1cc2onc(N)c2cc1C(C)(C)C
InChIInChI=1S/C15H22N2O/c1-14(2,3)10-7-9-12(18-17-13(9)16)8-11(10)15(4,5)6/h7-8H,1-6H3,(H2,16,17)
InChIKeyINUQCRAUCMLGBJ-UHFFFAOYSA-N
MW246.35 g/mol
LogP4.01
Rot. Bonds

About 5,6-ditert-butyl-1,2-benzoxazol-3-amine

5,6-ditert-butyl-1,2-benzoxazol-3-amine (PubChem CID 59066339) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 5,6-ditert-butyl-1,2-benzoxazol-3-amine.

Molecular Properties

Compound Name5,6-ditert-butyl-1,2-benzoxazol-3-amine
PubChem CID59066339
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name5,6-ditert-butyl-1,2-benzoxazol-3-amine
SMILESCC(C)(C)c1cc2onc(N)c2cc1C(C)(C)C
InChIInChI=1S/C15H22N2O/c1-14(2,3)10-7-9-12(18-17-13(9)16)8-11(10)15(4,5)6/h7-8H,1-6H3,(H2,16,17)
InChIKeyINUQCRAUCMLGBJ-UHFFFAOYSA-N
XLogP4.01
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-methylpentan-3-yl)-1,2-benzoxazol-3-amine
CID 71053743
ethane;5-ethyl-1,2-benzoxazol-3-amine
CID 143324107
ethane;6-ethyl-1,2-benzoxazol-3-amine
CID 143545769
6,7-ditert-butylquinazolin-4-amine
CID 59066322
CID 163989385
CID 163989385
5-methylfuro[2,3-d][1,2]oxazol-3-amine
CID 82418489
3-tert-butyl-1,2-benzoxazole-6-carbaldehyde
CID 105455201
2-(3-tert-butyl-1,2-benzoxazol-6-yl)ethanamine
CID 105472824
5-tert-butyl-1,2-oxazol-3-amine;ethane
CID 142449889
5-tert-butyl-1,2-oxazol-3-amine;hydrochloride
CID 11969519
5-tert-butyl-4-chloro-1,2-oxazol-3-amine
CID 79555596
3-tert-butyl-1,2-oxazol-5-amine;hydrochloride
CID 20847937

Frequently Asked Questions

What is the IUPAC name of 5,6-ditert-butyl-1,2-benzoxazol-3-amine?
The IUPAC name of 5,6-ditert-butyl-1,2-benzoxazol-3-amine (CID 59066339) is 5,6-ditert-butyl-1,2-benzoxazol-3-amine.
What is the SMILES notation for 5,6-ditert-butyl-1,2-benzoxazol-3-amine?
The canonical SMILES for 5,6-ditert-butyl-1,2-benzoxazol-3-amine is CC(C)(C)c1cc2onc(N)c2cc1C(C)(C)C.
What is the InChIKey of 5,6-ditert-butyl-1,2-benzoxazol-3-amine?
The InChIKey is INUQCRAUCMLGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-14(2,3)10-7-9-12(18-17-13(9)16)8-11(10)15(4,5)6/h7-8H,1-6H3,(H2,16,17).
What are the key properties of 5,6-ditert-butyl-1,2-benzoxazol-3-amine?
5,6-ditert-butyl-1,2-benzoxazol-3-amine has a molecular weight of 246.35 g/mol, XLogP of 4.01, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-ditert-butyl-1,2-benzoxazol-3-amine is sourced from PubChem (CID 59066339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).