2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-benzoxazol-6-amine

C16H16N4O — CID 79882824

IUPAC2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-benzoxazol-6-amine
SMILESCN1CCN(c2nc3ccc(N)cc3o2)c2ccccc21
InChIInChI=1S/C16H16N4O/c1-19-8-9-20(14-5-3-2-4-13(14)19)16-18-12-7-6-11(17)10-15(12)21-16/h2-7,10H,8-9,17H2,1H3
InChIKeyICEWNYHJMWVURJ-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.00
Rot. Bonds1

About 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-benzoxazol-6-amine

2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-benzoxazol-6-amine (PubChem CID 79882824) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-benzoxazol-6-amine.

Molecular Properties

Compound Name2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-benzoxazol-6-amine
PubChem CID79882824
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-benzoxazol-6-amine
SMILESCN1CCN(c2nc3ccc(N)cc3o2)c2ccccc21
InChIInChI=1S/C16H16N4O/c1-19-8-9-20(14-5-3-2-4-13(14)19)16-18-12-7-6-11(17)10-15(12)21-16/h2-7,10H,8-9,17H2,1H3
InChIKeyICEWNYHJMWVURJ-UHFFFAOYSA-N
XLogP3.00
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dihydro-2H-quinolin-1-yl)-1,3-benzoxazol-6-amine
CID 79881637
2-(azepan-1-yl)-1,3-benzoxazol-6-amine
CID 79891137
3-iodo-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)aniline
CID 66092951
3-bromo-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)aniline
CID 55236725
2-(3-methylpyrrolidin-1-yl)-1,3-benzoxazol-6-amine
CID 79893410
2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-benzoxazol-6-amine
CID 79893228
2-(3-methylthiomorpholin-4-yl)-1,3-benzoxazol-6-amine
CID 79893164
2-(3-azaspiro[5.5]undecan-3-yl)-1,3-benzoxazol-6-amine
CID 79882584
1,4-dimethyl-2,3-dihydroquinoxalin-6-amine
CID 96742097
2-(4-phenylpyrazol-1-yl)-1,3-benzoxazol-6-amine
CID 79883039
[1-(6-amino-1,3-benzoxazol-2-yl)piperidin-4-yl]methanol
CID 79890926
2-(3,4,5-trimethylpyrazol-1-yl)-1,3-benzoxazol-6-amine
CID 79892675

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-benzoxazol-6-amine?
The IUPAC name of 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-benzoxazol-6-amine (CID 79882824) is 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-benzoxazol-6-amine.
What is the SMILES notation for 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-benzoxazol-6-amine?
The canonical SMILES for 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-benzoxazol-6-amine is CN1CCN(c2nc3ccc(N)cc3o2)c2ccccc21.
What is the InChIKey of 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-benzoxazol-6-amine?
The InChIKey is ICEWNYHJMWVURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-19-8-9-20(14-5-3-2-4-13(14)19)16-18-12-7-6-11(17)10-15(12)21-16/h2-7,10H,8-9,17H2,1H3.
What are the key properties of 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-benzoxazol-6-amine?
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-benzoxazol-6-amine has a molecular weight of 280.33 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-benzoxazol-6-amine is sourced from PubChem (CID 79882824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).