1,3-benzoxazol-2-yl-[(1E)-1-(1-hydroxy-2-pyridinylidene)ethyl]diazene

C14H12N4O2 — CID 6712918

IUPAC1,3-benzoxazol-2-yl-[(1E)-1-(1-hydroxy-2-pyridinylidene)ethyl]diazene
SMILESCC(/N=N/c1nc2ccccc2o1)=C1/C=CC=CN1O
InChIInChI=1S/C14H12N4O2/c1-10(12-7-4-5-9-18(12)19)16-17-14-15-11-6-2-3-8-13(11)20-14/h2-9,19H,1H3/b12-10+,17-16+
InChIKeyYEMUSZWPPSMZQB-XFMAJURKSA-N
MW268.28 g/mol
LogP3.92
Rot. Bonds2

About 1,3-benzoxazol-2-yl-[(1E)-1-(1-hydroxy-2-pyridinylidene)ethyl]diazene

1,3-benzoxazol-2-yl-[(1E)-1-(1-hydroxy-2-pyridinylidene)ethyl]diazene (PubChem CID 6712918) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 1,3-benzoxazol-2-yl-[(1E)-1-(1-hydroxy-2-pyridinylidene)ethyl]diazene.

Molecular Properties

Compound Name1,3-benzoxazol-2-yl-[(1E)-1-(1-hydroxy-2-pyridinylidene)ethyl]diazene
PubChem CID6712918
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name1,3-benzoxazol-2-yl-[(1E)-1-(1-hydroxy-2-pyridinylidene)ethyl]diazene
SMILESCC(/N=N/c1nc2ccccc2o1)=C1/C=CC=CN1O
InChIInChI=1S/C14H12N4O2/c1-10(12-7-4-5-9-18(12)19)16-17-14-15-11-6-2-3-8-13(11)20-14/h2-9,19H,1H3/b12-10+,17-16+
InChIKeyYEMUSZWPPSMZQB-XFMAJURKSA-N
XLogP3.92
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 1,3-benzoxazol-2-yl-[(1E)-1-(1-hydroxy-2-pyridinylidene)ethyl]diazene?
The IUPAC name of 1,3-benzoxazol-2-yl-[(1E)-1-(1-hydroxy-2-pyridinylidene)ethyl]diazene (CID 6712918) is 1,3-benzoxazol-2-yl-[(1E)-1-(1-hydroxy-2-pyridinylidene)ethyl]diazene.
What is the SMILES notation for 1,3-benzoxazol-2-yl-[(1E)-1-(1-hydroxy-2-pyridinylidene)ethyl]diazene?
The canonical SMILES for 1,3-benzoxazol-2-yl-[(1E)-1-(1-hydroxy-2-pyridinylidene)ethyl]diazene is CC(/N=N/c1nc2ccccc2o1)=C1/C=CC=CN1O.
What is the InChIKey of 1,3-benzoxazol-2-yl-[(1E)-1-(1-hydroxy-2-pyridinylidene)ethyl]diazene?
The InChIKey is YEMUSZWPPSMZQB-XFMAJURKSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-10(12-7-4-5-9-18(12)19)16-17-14-15-11-6-2-3-8-13(11)20-14/h2-9,19H,1H3/b12-10+,17-16+.
What are the key properties of 1,3-benzoxazol-2-yl-[(1E)-1-(1-hydroxy-2-pyridinylidene)ethyl]diazene?
1,3-benzoxazol-2-yl-[(1E)-1-(1-hydroxy-2-pyridinylidene)ethyl]diazene has a molecular weight of 268.28 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzoxazol-2-yl-[(1E)-1-(1-hydroxy-2-pyridinylidene)ethyl]diazene is sourced from PubChem (CID 6712918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).