2-tert-butyl-1,3-benzoxazol-6-amine

C11H14N2O — CID 39112039

IUPAC2-tert-butyl-1,3-benzoxazol-6-amine
SMILESCC(C)(C)c1nc2ccc(N)cc2o1
InChIInChI=1S/C11H14N2O/c1-11(2,3)10-13-8-5-4-7(12)6-9(8)14-10/h4-6H,12H2,1-3H3
InChIKeyVMMMPJQSGONHLP-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.71
Rot. Bonds

About 2-tert-butyl-1,3-benzoxazol-6-amine

2-tert-butyl-1,3-benzoxazol-6-amine (PubChem CID 39112039) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-tert-butyl-1,3-benzoxazol-6-amine.

Molecular Properties

Compound Name2-tert-butyl-1,3-benzoxazol-6-amine
PubChem CID39112039
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2-tert-butyl-1,3-benzoxazol-6-amine
SMILESCC(C)(C)c1nc2ccc(N)cc2o1
InChIInChI=1S/C11H14N2O/c1-11(2,3)10-13-8-5-4-7(12)6-9(8)14-10/h4-6H,12H2,1-3H3
InChIKeyVMMMPJQSGONHLP-UHFFFAOYSA-N
XLogP2.71
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxypropan-2-yl)-1,3-benzoxazol-6-amine
CID 103020647
2-tert-butyl-6-(2-methylbutan-2-yl)-1,3-benzoxazole
CID 122642759
2-(6-fluoro-1,3-benzoxazol-2-yl)propan-2-amine
CID 63676578
2-[(5-tert-butyl-2-pyridinyl)sulfanyl]-1,3-benzoxazol-6-amine
CID 107875348
2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-benzoxazol-6-amine
CID 114462071
2-tert-butyl-7-methyl-1,3-benzoxazol-5-amine
CID 91674944
2-N-(2-methyl-2-methylsulfonylpropyl)-1,3-benzoxazole-2,6-diamine
CID 79893031
1-[(6-amino-1,3-benzoxazol-2-yl)-ethylamino]-2-methylpropan-2-ol
CID 79893182
2-(5-methyl-1,3-oxazol-2-yl)-1,3-benzoxazol-6-amine
CID 96611710
2-(1-cyclopropylethyl)-1,3-benzoxazol-6-amine
CID 83153833
2-(3-methylbutan-2-ylsulfanyl)-1,3-benzoxazol-6-amine
CID 107747829
2-(2-methylphenyl)-1,3-benzoxazol-6-amine
CID 6457922

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,3-benzoxazol-6-amine?
The IUPAC name of 2-tert-butyl-1,3-benzoxazol-6-amine (CID 39112039) is 2-tert-butyl-1,3-benzoxazol-6-amine.
What is the SMILES notation for 2-tert-butyl-1,3-benzoxazol-6-amine?
The canonical SMILES for 2-tert-butyl-1,3-benzoxazol-6-amine is CC(C)(C)c1nc2ccc(N)cc2o1.
What is the InChIKey of 2-tert-butyl-1,3-benzoxazol-6-amine?
The InChIKey is VMMMPJQSGONHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-11(2,3)10-13-8-5-4-7(12)6-9(8)14-10/h4-6H,12H2,1-3H3.
What are the key properties of 2-tert-butyl-1,3-benzoxazol-6-amine?
2-tert-butyl-1,3-benzoxazol-6-amine has a molecular weight of 190.25 g/mol, XLogP of 2.71, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,3-benzoxazol-6-amine is sourced from PubChem (CID 39112039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).