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'}

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Launch Full Analysis

Related Compounds

2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazol-7-amine
CID 82232029
7-tert-butyl-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 82231467
5-methyl-2-propan-2-ylbenzo[g][1,3]benzoxazole
CID 144879686
4,6-dimethyl-2-propan-2-yl-1,3-benzoxazol-7-amine
CID 82230266
5-chloro-2-propan-2-yl-1,3-benzoxazol-6-amine
CID 115539699
7-bromo-5-chloro-2-propan-2-yl-1,3-benzoxazole
CID 82095523
N-[(6-fluoro-7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl]-2-methoxyethanamine
CID 166556473
1-(5-bromo-7-methyl-1,3-benzoxazol-2-yl)ethanamine
CID 82463467
(7-cyclopropyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methanamine
CID 166557495
5-bromo-2-propan-2-yl-1,3-benzoxazole-7-carbaldehyde
CID 83902756
5-hydroxy-2-propan-2-yl-1,3-benzoxazole-7-carboxylic acid
CID 84686461
5-(methylaminomethyl)-2-propan-2-yl-1,3-benzoxazole-7-carbonitrile
CID 166557740

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).