6-[(2-anilinonaphthalen-1-yl)diazenyl]-3H-1,3-benzoxazol-2-one

C23H16N4O2 — CID 71390217

IUPAC6-[(2-anilinonaphthalen-1-yl)diazenyl]-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2ccc(/N=N/c3c(Nc4ccccc4)ccc4ccccc34)cc2o1
InChIInChI=1S/C23H16N4O2/c28-23-25-19-13-11-17(14-21(19)29-23)26-27-22-18-9-5-4-6-15(18)10-12-20(22)24-16-7-2-1-3-8-16/h1-14,24H,(H,25,28)/b27-26+
InChIKeyPTFNKUVXWSJDEQ-CYYJNZCTSA-N
MW380.41 g/mol
LogP6.43
Rot. Bonds4

About 6-[(2-anilinonaphthalen-1-yl)diazenyl]-3H-1,3-benzoxazol-2-one

6-[(2-anilinonaphthalen-1-yl)diazenyl]-3H-1,3-benzoxazol-2-one (PubChem CID 71390217) has the molecular formula C23H16N4O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is 6-[(2-anilinonaphthalen-1-yl)diazenyl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[(2-anilinonaphthalen-1-yl)diazenyl]-3H-1,3-benzoxazol-2-one
PubChem CID71390217
Molecular FormulaC23H16N4O2
Molecular Weight380.41 g/mol
Exact Mass380.13
IUPAC Name6-[(2-anilinonaphthalen-1-yl)diazenyl]-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2ccc(/N=N/c3c(Nc4ccccc4)ccc4ccccc34)cc2o1
InChIInChI=1S/C23H16N4O2/c28-23-25-19-13-11-17(14-21(19)29-23)26-27-22-18-9-5-4-6-15(18)10-12-20(22)24-16-7-2-1-3-8-16/h1-14,24H,(H,25,28)/b27-26+
InChIKeyPTFNKUVXWSJDEQ-CYYJNZCTSA-N
XLogP6.43
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.41
LogP ≤ 56.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[(2-anilinonaphthalen-1-yl)diazenyl]-3H-1,3-benzoxazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(2-anilinonaphthalen-1-yl)diazenyl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[(2-anilinonaphthalen-1-yl)diazenyl]-3H-1,3-benzoxazol-2-one (CID 71390217) is 6-[(2-anilinonaphthalen-1-yl)diazenyl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[(2-anilinonaphthalen-1-yl)diazenyl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[(2-anilinonaphthalen-1-yl)diazenyl]-3H-1,3-benzoxazol-2-one is O=c1[nH]c2ccc(/N=N/c3c(Nc4ccccc4)ccc4ccccc34)cc2o1.
What is the InChIKey of 6-[(2-anilinonaphthalen-1-yl)diazenyl]-3H-1,3-benzoxazol-2-one?
The InChIKey is PTFNKUVXWSJDEQ-CYYJNZCTSA-N. The full InChI is InChI=1S/C23H16N4O2/c28-23-25-19-13-11-17(14-21(19)29-23)26-27-22-18-9-5-4-6-15(18)10-12-20(22)24-16-7-2-1-3-8-16/h1-14,24H,(H,25,28)/b27-26+.
What are the key properties of 6-[(2-anilinonaphthalen-1-yl)diazenyl]-3H-1,3-benzoxazol-2-one?
6-[(2-anilinonaphthalen-1-yl)diazenyl]-3H-1,3-benzoxazol-2-one has a molecular weight of 380.41 g/mol, XLogP of 6.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-anilinonaphthalen-1-yl)diazenyl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 71390217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).