2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethyl]-4-[(4-nitrophenyl)diazenyl]phenol

C15H11N7O4 — CID 177424442

IUPAC2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethyl]-4-[(4-nitrophenyl)diazenyl]phenol
SMILESNc1nonc1/N=C/c1cc(/N=N/c2ccc([N+](=O)[O-])cc2)ccc1O
InChIInChI=1S/C15H11N7O4/c16-14-15(21-26-20-14)17-8-9-7-11(3-6-13(9)23)19-18-10-1-4-12(5-2-10)22(24)25/h1-8,23H,(H2,16,20)/b17-8+,19-18+
InChIKeyJUSKHZCXDWGPDD-BTOTXDRHSA-N
MW353.30 g/mol
LogP3.43
Rot. Bonds5

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

2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethyl]-4-[(4-nitrophenyl)diazenyl]phenol (PubChem CID 177424442) has the molecular formula C15H11N7O4 and a molecular weight of 353.30 g/mol. Its IUPAC name is 2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethyl]-4-[(4-nitrophenyl)diazenyl]phenol.

Molecular Properties

Compound Name2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethyl]-4-[(4-nitrophenyl)diazenyl]phenol
PubChem CID177424442
Molecular FormulaC15H11N7O4
Molecular Weight353.30 g/mol
Exact Mass353.09
IUPAC Name2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethyl]-4-[(4-nitrophenyl)diazenyl]phenol
SMILESNc1nonc1/N=C/c1cc(/N=N/c2ccc([N+](=O)[O-])cc2)ccc1O
InChIInChI=1S/C15H11N7O4/c16-14-15(21-26-20-14)17-8-9-7-11(3-6-13(9)23)19-18-10-1-4-12(5-2-10)22(24)25/h1-8,23H,(H2,16,20)/b17-8+,19-18+
InChIKeyJUSKHZCXDWGPDD-BTOTXDRHSA-N
XLogP3.43
TPSA165.39 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethyl]-4-phenyldiazenylphenol
CID 136790243
2-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]-4-[(4-nitrophenyl)diazenyl]phenol
CID 177450636
2-hydroxy-4-[(4-nitrophenyl)diazenyl]benzaldehyde
CID 155663799
2-[(2-bromo-4-nitrophenyl)iminomethyl]-4-nitrophenol
CID 2838677
2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethyl]-4,6-diiodophenol
CID 5059865
2-[(2-amino-5-nitrophenyl)iminomethyl]phenol
CID 136877308
4-nitro-2-[(4-propan-2-ylphenyl)iminomethyl]phenol
CID 135595250
2-[(4-ethoxyphenyl)iminomethyl]-4-nitrophenol
CID 710256
2-(3H-benzimidazol-5-yliminomethyl)-4-nitrophenol
CID 3094369
4-[4-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]morpholin-3-one
CID 137092270
sodium;hydride;2-hydroxy-5-[(4-nitrophenyl)diazenyl]benzoic acid
CID 173234784
2-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-methylphenol
CID 3111519

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethyl]-4-[(4-nitrophenyl)diazenyl]phenol?
The IUPAC name of 2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethyl]-4-[(4-nitrophenyl)diazenyl]phenol (CID 177424442) is 2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethyl]-4-[(4-nitrophenyl)diazenyl]phenol.
What is the SMILES notation for 2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethyl]-4-[(4-nitrophenyl)diazenyl]phenol?
The canonical SMILES for 2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethyl]-4-[(4-nitrophenyl)diazenyl]phenol is Nc1nonc1/N=C/c1cc(/N=N/c2ccc([N+](=O)[O-])cc2)ccc1O.
What is the InChIKey of 2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethyl]-4-[(4-nitrophenyl)diazenyl]phenol?
The InChIKey is JUSKHZCXDWGPDD-BTOTXDRHSA-N. The full InChI is InChI=1S/C15H11N7O4/c16-14-15(21-26-20-14)17-8-9-7-11(3-6-13(9)23)19-18-10-1-4-12(5-2-10)22(24)25/h1-8,23H,(H2,16,20)/b17-8+,19-18+.
What are the key properties of 2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethyl]-4-[(4-nitrophenyl)diazenyl]phenol?
2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethyl]-4-[(4-nitrophenyl)diazenyl]phenol has a molecular weight of 353.30 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethyl]-4-[(4-nitrophenyl)diazenyl]phenol is sourced from PubChem (CID 177424442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).