2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethyl]-4-phenyldiazenylphenol

C15H12N6O2 — CID 136790243

IUPAC2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethyl]-4-phenyldiazenylphenol
SMILESNc1nonc1/N=C/c1cc(/N=N/c2ccccc2)ccc1O
InChIInChI=1S/C15H12N6O2/c16-14-15(21-23-20-14)17-9-10-8-12(6-7-13(10)22)19-18-11-4-2-1-3-5-11/h1-9,22H,(H2,16,20)/b17-9+,19-18+
InChIKeyKUDUAAFMXRFREC-VBNSEIGASA-N
MW308.30 g/mol
LogP3.52
Rot. Bonds4

About 2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethyl]-4-phenyldiazenylphenol

2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethyl]-4-phenyldiazenylphenol (PubChem CID 136790243) has the molecular formula C15H12N6O2 and a molecular weight of 308.30 g/mol. Its IUPAC name is 2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethyl]-4-phenyldiazenylphenol.

Molecular Properties

Compound Name2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethyl]-4-phenyldiazenylphenol
PubChem CID136790243
Molecular FormulaC15H12N6O2
Molecular Weight308.30 g/mol
Exact Mass308.10
IUPAC Name2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethyl]-4-phenyldiazenylphenol
SMILESNc1nonc1/N=C/c1cc(/N=N/c2ccccc2)ccc1O
InChIInChI=1S/C15H12N6O2/c16-14-15(21-23-20-14)17-9-10-8-12(6-7-13(10)22)19-18-11-4-2-1-3-5-11/h1-9,22H,(H2,16,20)/b17-9+,19-18+
InChIKeyKUDUAAFMXRFREC-VBNSEIGASA-N
XLogP3.52
TPSA122.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethyl]-4-[(4-nitrophenyl)diazenyl]phenol
CID 177424442
2-methanehydrazonoyl-4-phenyldiazenylphenol
CID 168531348
2-[[3-[(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-phenyldiazenylphenol
CID 136823529
4-phenyldiazenyl-2-[(4-propan-2-ylphenyl)iminomethyl]phenol
CID 137158226
2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethyl]-4,6-diiodophenol
CID 5059865
N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]acetamide
CID 137023077
4-[(4-phenyldiazenylphenyl)iminomethyl]benzene-1,2,3-triol
CID 136719331
4-phenyldiazenyl-2-[(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)iminomethyl]phenol
CID 4588127
2-[[(4-amino-1,2,4-triazol-3-yl)hydrazinylidene]methyl]-4-[(4-phenyl-1,2,5-oxadiazol-3-yl)diazenyl]phenol
CID 136691622
(Z)-3-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethyl]-4-hydroxy-4-phenylbut-3-en-2-one
CID 135795320
4-(1,3-benzothiazol-2-yldiazenyl)-2-[(5-hydroxy-2-phenyldiazenylphenyl)iminomethyl]phenol
CID 135428392
2-hydroxy-N-[(E)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-2-phenylacetamide
CID 135504378

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethyl]-4-phenyldiazenylphenol?
The IUPAC name of 2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethyl]-4-phenyldiazenylphenol (CID 136790243) is 2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethyl]-4-phenyldiazenylphenol.
What is the SMILES notation for 2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethyl]-4-phenyldiazenylphenol?
The canonical SMILES for 2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethyl]-4-phenyldiazenylphenol is Nc1nonc1/N=C/c1cc(/N=N/c2ccccc2)ccc1O.
What is the InChIKey of 2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethyl]-4-phenyldiazenylphenol?
The InChIKey is KUDUAAFMXRFREC-VBNSEIGASA-N. The full InChI is InChI=1S/C15H12N6O2/c16-14-15(21-23-20-14)17-9-10-8-12(6-7-13(10)22)19-18-11-4-2-1-3-5-11/h1-9,22H,(H2,16,20)/b17-9+,19-18+.
What are the key properties of 2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethyl]-4-phenyldiazenylphenol?
2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethyl]-4-phenyldiazenylphenol has a molecular weight of 308.30 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethyl]-4-phenyldiazenylphenol is sourced from PubChem (CID 136790243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).