2-N-(2-ethoxyethyl)-2-N-ethyl-1,3-benzoxazole-2,5-diamine

C13H19N3O2 — CID 79891045

IUPAC2-N-(2-ethoxyethyl)-2-N-ethyl-1,3-benzoxazole-2,5-diamine
SMILESCCOCCN(CC)c1nc2cc(N)ccc2o1
InChIInChI=1S/C13H19N3O2/c1-3-16(7-8-17-4-2)13-15-11-9-10(14)5-6-12(11)18-13/h5-6,9H,3-4,7-8,14H2,1-2H3
InChIKeyWNDJIZHGDWULOP-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.27
Rot. Bonds6

About 2-N-(2-ethoxyethyl)-2-N-ethyl-1,3-benzoxazole-2,5-diamine

2-N-(2-ethoxyethyl)-2-N-ethyl-1,3-benzoxazole-2,5-diamine (PubChem CID 79891045) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-N-(2-ethoxyethyl)-2-N-ethyl-1,3-benzoxazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(2-ethoxyethyl)-2-N-ethyl-1,3-benzoxazole-2,5-diamine
PubChem CID79891045
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-N-(2-ethoxyethyl)-2-N-ethyl-1,3-benzoxazole-2,5-diamine
SMILESCCOCCN(CC)c1nc2cc(N)ccc2o1
InChIInChI=1S/C13H19N3O2/c1-3-16(7-8-17-4-2)13-15-11-9-10(14)5-6-12(11)18-13/h5-6,9H,3-4,7-8,14H2,1-2H3
InChIKeyWNDJIZHGDWULOP-UHFFFAOYSA-N
XLogP2.27
TPSA64.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-amino-1,3-benzoxazol-2-yl)-propylamino]-N,N-dimethylacetamide
CID 79890875
2-N-butan-2-yl-2-N-ethyl-1,3-benzoxazole-2,5-diamine
CID 79884734
1-N-(2-ethoxyethyl)-1-N-ethyl-2-methylbenzene-1,4-diamine
CID 63698245
2-N-methyl-2-N-phenyl-1,3-benzoxazole-2,5-diamine
CID 79885344
2-N-(2-methylpropyl)-2-N-pentan-3-yl-1,3-benzoxazole-2,5-diamine
CID 79891209
2-N-methyl-2-N-(3-methylbutan-2-yl)-1,3-benzoxazole-2,5-diamine
CID 79885359
6-N-(2-ethoxyethyl)-6-N-ethylpyridine-2,6-diamine
CID 80653424
1-[(6-amino-1,3-benzoxazol-2-yl)-ethylamino]-2-methylpropan-2-ol
CID 79893182
2-N-(4-ethylcyclohexyl)-2-N-methyl-1,3-benzoxazole-2,5-diamine
CID 79890644
1-N-(2-ethoxyethyl)-1-N-ethyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 63696479
1-[(5-amino-1,3-benzoxazol-2-yl)-methylamino]-2-methylpropan-2-ol
CID 79890676
5-amino-2-[2-ethoxyethyl(ethyl)amino]benzonitrile
CID 63695956

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-ethoxyethyl)-2-N-ethyl-1,3-benzoxazole-2,5-diamine?
The IUPAC name of 2-N-(2-ethoxyethyl)-2-N-ethyl-1,3-benzoxazole-2,5-diamine (CID 79891045) is 2-N-(2-ethoxyethyl)-2-N-ethyl-1,3-benzoxazole-2,5-diamine.
What is the SMILES notation for 2-N-(2-ethoxyethyl)-2-N-ethyl-1,3-benzoxazole-2,5-diamine?
The canonical SMILES for 2-N-(2-ethoxyethyl)-2-N-ethyl-1,3-benzoxazole-2,5-diamine is CCOCCN(CC)c1nc2cc(N)ccc2o1.
What is the InChIKey of 2-N-(2-ethoxyethyl)-2-N-ethyl-1,3-benzoxazole-2,5-diamine?
The InChIKey is WNDJIZHGDWULOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-16(7-8-17-4-2)13-15-11-9-10(14)5-6-12(11)18-13/h5-6,9H,3-4,7-8,14H2,1-2H3.
What are the key properties of 2-N-(2-ethoxyethyl)-2-N-ethyl-1,3-benzoxazole-2,5-diamine?
2-N-(2-ethoxyethyl)-2-N-ethyl-1,3-benzoxazole-2,5-diamine has a molecular weight of 249.31 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-ethoxyethyl)-2-N-ethyl-1,3-benzoxazole-2,5-diamine is sourced from PubChem (CID 79891045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).