CID 59002462

C17H11AlNO4 — CID 59002462

IUPAC—
SMILESc1coc(O[Al]Oc2ccccc2-c2nc3ccccc3o2)c1
InChIInChI=1S/C13H9NO2.C4H4O2.Al/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;5-4-2-1-3-6-4;/h1-8,15H;1-3,5H;/q;;+2/p-2
InChIKeyPFNJACRMBGGYQT-UHFFFAOYSA-L
MW320.26 g/mol
LogP4.08
Rot. Bonds5

About CID 59002462

CID 59002462 (PubChem CID 59002462) has the molecular formula C17H11AlNO4 and a molecular weight of 320.26 g/mol.

Molecular Properties

Compound NameCID 59002462
PubChem CID59002462
Molecular FormulaC17H11AlNO4
Molecular Weight320.26 g/mol
Exact Mass320.05
IUPAC Name—
SMILESc1coc(O[Al]Oc2ccccc2-c2nc3ccccc3o2)c1
InChIInChI=1S/C13H9NO2.C4H4O2.Al/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;5-4-2-1-3-6-4;/h1-8,15H;1-3,5H;/q;;+2/p-2
InChIKeyPFNJACRMBGGYQT-UHFFFAOYSA-L
XLogP4.08
TPSA57.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.26
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze CID 59002462 with MolForge

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

Launch Full Analysis

Related Compounds

CID 168730973
CID 168730973
ethane;2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole
CID 142140650
bis(2-(1,3-benzoxazol-2-yl)phenol);ytterbium
CID 157356181
2-(2-chlorophenyl)-1,3-benzoxazole
CID 3014177
bis(2-(1,3-benzoxazol-2-yl)phenol);oxovanadium
CID 162253412
2-[2-(4-phenylphenyl)phenyl]-1,3-benzoxazole
CID 19044929
2-(2,3,4-trifluorophenyl)-1,3-benzoxazole
CID 22625179
2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole
CID 58230863
2-(4-methylquinolin-8-yl)-1,3-benzoxazole
CID 12597845
2-[5-(1,3-benzoxazol-2-yl)-2,4-dimethylphenyl]-1,3-benzoxazole
CID 102587552
CID 140728464
CID 140728464
[2-(1,3-benzoxazol-2-yl)phenyl]iminoazanide;zinc
CID 155109070

Frequently Asked Questions

What is the IUPAC name of CID 59002462?
The IUPAC name of CID 59002462 (CID 59002462) is not available.
What is the SMILES notation for CID 59002462?
The canonical SMILES for CID 59002462 is c1coc(O[Al]Oc2ccccc2-c2nc3ccccc3o2)c1.
What is the InChIKey of CID 59002462?
The InChIKey is PFNJACRMBGGYQT-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H9NO2.C4H4O2.Al/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;5-4-2-1-3-6-4;/h1-8,15H;1-3,5H;/q;;+2/p-2.
What are the key properties of CID 59002462?
CID 59002462 has a molecular weight of 320.26 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59002462 is sourced from PubChem (CID 59002462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).