2-ethoxy-4-N-(1,2-oxazol-3-ylmethyl)benzene-1,4-diamine

C12H15N3O2 — CID 81170745

IUPAC2-ethoxy-4-N-(1,2-oxazol-3-ylmethyl)benzene-1,4-diamine
SMILESCCOc1cc(NCc2ccon2)ccc1N
InChIInChI=1S/C12H15N3O2/c1-2-16-12-7-9(3-4-11(12)13)14-8-10-5-6-17-15-10/h3-7,14H,2,8,13H2,1H3
InChIKeyUZPISTAPUZUDMG-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.27
Rot. Bonds5

About 2-ethoxy-4-N-(1,2-oxazol-3-ylmethyl)benzene-1,4-diamine

2-ethoxy-4-N-(1,2-oxazol-3-ylmethyl)benzene-1,4-diamine (PubChem CID 81170745) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-ethoxy-4-N-(1,2-oxazol-3-ylmethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-ethoxy-4-N-(1,2-oxazol-3-ylmethyl)benzene-1,4-diamine
PubChem CID81170745
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-ethoxy-4-N-(1,2-oxazol-3-ylmethyl)benzene-1,4-diamine
SMILESCCOc1cc(NCc2ccon2)ccc1N
InChIInChI=1S/C12H15N3O2/c1-2-16-12-7-9(3-4-11(12)13)14-8-10-5-6-17-15-10/h3-7,14H,2,8,13H2,1H3
InChIKeyUZPISTAPUZUDMG-UHFFFAOYSA-N
XLogP2.27
TPSA73.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-5-fluoro-2-N-(1,2-oxazol-3-ylmethyl)benzene-1,2-diamine
CID 81170854
2-ethoxy-4-N-[(1-methylpyrazol-3-yl)methyl]benzene-1,4-diamine
CID 82882547
2-ethoxy-4-N-(pyridin-3-ylmethyl)benzene-1,4-diamine
CID 55232938
4-N-(2,2-dimethylpropyl)-2-ethoxybenzene-1,4-diamine
CID 63670004
2-ethoxy-4-N-[(1-methylimidazol-2-yl)methyl]benzene-1,4-diamine
CID 63678191
2-ethoxy-4-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,4-diamine
CID 82741640
2-ethoxy-4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzene-1,4-diamine
CID 63675675
2-N-(1,2-oxazol-3-ylmethyl)-6-propoxypyridine-2,5-diamine
CID 81170070
2-ethoxy-4-N-(2-methylsulfonylethyl)benzene-1,4-diamine
CID 63671672
ethyl 2-(4-amino-3-ethoxyanilino)acetate
CID 63670664
2-ethoxy-4-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine
CID 63829691
4-N-(3,4-dichlorophenyl)-2-ethoxybenzene-1,4-diamine
CID 63671293

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-N-(1,2-oxazol-3-ylmethyl)benzene-1,4-diamine?
The IUPAC name of 2-ethoxy-4-N-(1,2-oxazol-3-ylmethyl)benzene-1,4-diamine (CID 81170745) is 2-ethoxy-4-N-(1,2-oxazol-3-ylmethyl)benzene-1,4-diamine.
What is the SMILES notation for 2-ethoxy-4-N-(1,2-oxazol-3-ylmethyl)benzene-1,4-diamine?
The canonical SMILES for 2-ethoxy-4-N-(1,2-oxazol-3-ylmethyl)benzene-1,4-diamine is CCOc1cc(NCc2ccon2)ccc1N.
What is the InChIKey of 2-ethoxy-4-N-(1,2-oxazol-3-ylmethyl)benzene-1,4-diamine?
The InChIKey is UZPISTAPUZUDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-2-16-12-7-9(3-4-11(12)13)14-8-10-5-6-17-15-10/h3-7,14H,2,8,13H2,1H3.
What are the key properties of 2-ethoxy-4-N-(1,2-oxazol-3-ylmethyl)benzene-1,4-diamine?
2-ethoxy-4-N-(1,2-oxazol-3-ylmethyl)benzene-1,4-diamine has a molecular weight of 233.27 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-N-(1,2-oxazol-3-ylmethyl)benzene-1,4-diamine is sourced from PubChem (CID 81170745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).