6,7-dimethyl-2-propan-2-yl-1,3-benzoxazol-5-amine

C12H16N2O — CID 82230256

IUPAC6,7-dimethyl-2-propan-2-yl-1,3-benzoxazol-5-amine
SMILESCc1c(N)cc2nc(C(C)C)oc2c1C
InChIInChI=1S/C12H16N2O/c1-6(2)12-14-10-5-9(13)7(3)8(4)11(10)15-12/h5-6H,13H2,1-4H3
InChIKeyJEVNRJNGFHERCZ-UHFFFAOYSA-N
MW204.27 g/mol
LogP3.15
Rot. Bonds1

About 6,7-dimethyl-2-propan-2-yl-1,3-benzoxazol-5-amine

6,7-dimethyl-2-propan-2-yl-1,3-benzoxazol-5-amine (PubChem CID 82230256) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 6,7-dimethyl-2-propan-2-yl-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name6,7-dimethyl-2-propan-2-yl-1,3-benzoxazol-5-amine
PubChem CID82230256
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name6,7-dimethyl-2-propan-2-yl-1,3-benzoxazol-5-amine
SMILESCc1c(N)cc2nc(C(C)C)oc2c1C
InChIInChI=1S/C12H16N2O/c1-6(2)12-14-10-5-9(13)7(3)8(4)11(10)15-12/h5-6H,13H2,1-4H3
InChIKeyJEVNRJNGFHERCZ-UHFFFAOYSA-N
XLogP3.15
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6,7-dimethyl-2-propan-2-yl-1,3-benzoxazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-2-propan-2-yl-1,3-benzoxazol-5-amine?
The IUPAC name of 6,7-dimethyl-2-propan-2-yl-1,3-benzoxazol-5-amine (CID 82230256) is 6,7-dimethyl-2-propan-2-yl-1,3-benzoxazol-5-amine.
What is the SMILES notation for 6,7-dimethyl-2-propan-2-yl-1,3-benzoxazol-5-amine?
The canonical SMILES for 6,7-dimethyl-2-propan-2-yl-1,3-benzoxazol-5-amine is Cc1c(N)cc2nc(C(C)C)oc2c1C.
What is the InChIKey of 6,7-dimethyl-2-propan-2-yl-1,3-benzoxazol-5-amine?
The InChIKey is JEVNRJNGFHERCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-6(2)12-14-10-5-9(13)7(3)8(4)11(10)15-12/h5-6H,13H2,1-4H3.
What are the key properties of 6,7-dimethyl-2-propan-2-yl-1,3-benzoxazol-5-amine?
6,7-dimethyl-2-propan-2-yl-1,3-benzoxazol-5-amine has a molecular weight of 204.27 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-2-propan-2-yl-1,3-benzoxazol-5-amine is sourced from PubChem (CID 82230256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).