1-[4-[[[4-(1,3-oxazol-5-yl)phenyl]diazenyl]methyl]phenyl]ethanamine

C18H18N4O — CID 90723520

IUPAC1-[4-[[[4-(1,3-oxazol-5-yl)phenyl]diazenyl]methyl]phenyl]ethanamine
SMILESCC(N)c1ccc(C/N=N/c2ccc(-c3cnco3)cc2)cc1
InChIInChI=1S/C18H18N4O/c1-13(19)15-4-2-14(3-5-15)10-21-22-17-8-6-16(7-9-17)18-11-20-12-23-18/h2-9,11-13H,10,19H2,1H3/b22-21+
InChIKeyQMJOERMWYSRHDW-QURGRASLSA-N
MW306.37 g/mol
LogP4.65
Rot. Bonds5

About 1-[4-[[[4-(1,3-oxazol-5-yl)phenyl]diazenyl]methyl]phenyl]ethanamine

1-[4-[[[4-(1,3-oxazol-5-yl)phenyl]diazenyl]methyl]phenyl]ethanamine (PubChem CID 90723520) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-[4-[[[4-(1,3-oxazol-5-yl)phenyl]diazenyl]methyl]phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-[[[4-(1,3-oxazol-5-yl)phenyl]diazenyl]methyl]phenyl]ethanamine
PubChem CID90723520
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name1-[4-[[[4-(1,3-oxazol-5-yl)phenyl]diazenyl]methyl]phenyl]ethanamine
SMILESCC(N)c1ccc(C/N=N/c2ccc(-c3cnco3)cc2)cc1
InChIInChI=1S/C18H18N4O/c1-13(19)15-4-2-14(3-5-15)10-21-22-17-8-6-16(7-9-17)18-11-20-12-23-18/h2-9,11-13H,10,19H2,1H3/b22-21+
InChIKeyQMJOERMWYSRHDW-QURGRASLSA-N
XLogP4.65
TPSA76.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[[4-(1,3-oxazol-5-yl)phenyl]diazenyl]methyl]phenyl]ethanamine?
The IUPAC name of 1-[4-[[[4-(1,3-oxazol-5-yl)phenyl]diazenyl]methyl]phenyl]ethanamine (CID 90723520) is 1-[4-[[[4-(1,3-oxazol-5-yl)phenyl]diazenyl]methyl]phenyl]ethanamine.
What is the SMILES notation for 1-[4-[[[4-(1,3-oxazol-5-yl)phenyl]diazenyl]methyl]phenyl]ethanamine?
The canonical SMILES for 1-[4-[[[4-(1,3-oxazol-5-yl)phenyl]diazenyl]methyl]phenyl]ethanamine is CC(N)c1ccc(C/N=N/c2ccc(-c3cnco3)cc2)cc1.
What is the InChIKey of 1-[4-[[[4-(1,3-oxazol-5-yl)phenyl]diazenyl]methyl]phenyl]ethanamine?
The InChIKey is QMJOERMWYSRHDW-QURGRASLSA-N. The full InChI is InChI=1S/C18H18N4O/c1-13(19)15-4-2-14(3-5-15)10-21-22-17-8-6-16(7-9-17)18-11-20-12-23-18/h2-9,11-13H,10,19H2,1H3/b22-21+.
What are the key properties of 1-[4-[[[4-(1,3-oxazol-5-yl)phenyl]diazenyl]methyl]phenyl]ethanamine?
1-[4-[[[4-(1,3-oxazol-5-yl)phenyl]diazenyl]methyl]phenyl]ethanamine has a molecular weight of 306.37 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[[4-(1,3-oxazol-5-yl)phenyl]diazenyl]methyl]phenyl]ethanamine is sourced from PubChem (CID 90723520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).