4-methoxy-[1,2,5]oxadiazolo[3,4-g][2,1,3]benzoxadiazole

C7H4N4O3 — CID 4519189

IUPAC4-methoxy-[1,2,5]oxadiazolo[3,4-g][2,1,3]benzoxadiazole
SMILESCOc1cc2nonc2c2nonc12
InChIInChI=1S/C7H4N4O3/c1-12-4-2-3-5(9-13-8-3)7-6(4)10-14-11-7/h2H,1H3
InChIKeyMQPDICFVXDIADS-UHFFFAOYSA-N
MW192.13 g/mol
LogP0.77
Rot. Bonds1

About 4-methoxy-[1,2,5]oxadiazolo[3,4-g][2,1,3]benzoxadiazole

4-methoxy-[1,2,5]oxadiazolo[3,4-g][2,1,3]benzoxadiazole (PubChem CID 4519189) has the molecular formula C7H4N4O3 and a molecular weight of 192.13 g/mol. Its IUPAC name is 4-methoxy-[1,2,5]oxadiazolo[3,4-g][2,1,3]benzoxadiazole.

Molecular Properties

Compound Name4-methoxy-[1,2,5]oxadiazolo[3,4-g][2,1,3]benzoxadiazole
PubChem CID4519189
Molecular FormulaC7H4N4O3
Molecular Weight192.13 g/mol
Exact Mass192.03
IUPAC Name4-methoxy-[1,2,5]oxadiazolo[3,4-g][2,1,3]benzoxadiazole
SMILESCOc1cc2nonc2c2nonc12
InChIInChI=1S/C7H4N4O3/c1-12-4-2-3-5(9-13-8-3)7-6(4)10-14-11-7/h2H,1H3
InChIKeyMQPDICFVXDIADS-UHFFFAOYSA-N
XLogP0.77
TPSA87.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.13
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-methoxy-[1,2,5]oxadiazolo[3,4-g][2,1,3]benzoxadiazole 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

4,5-dibromo-6-methoxy-2,1,3-benzoxadiazole
CID 10990467
5-methoxy-2,1,3-benzoxadiazole-6-carbaldehyde
CID 82410218
4-bromo-5-methoxy-2,1,3-benzoxadiazole
CID 615112
CID 174071935
CID 174071935
2,3,6,7-tetramethoxy-9-methylacridine
CID 46187785
4,9-dimethoxyphenazine-2,7-diol
CID 146380846
N-[(3,4-dimethoxyphenyl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 22203272
2-[(4-methoxy-2,1,3-benzoxadiazol-7-yl)hydrazinylidene]propanedinitrile
CID 169338596
5-bromo-4-methyl-2,1,3-benzoxadiazole
CID 90403897
3-chloro-6-(5-methoxy-2,1,3-benzoxadiazol-6-yl)-4-methylpyridine-2-carboxylic acid
CID 123991026
6,7-dimethoxy-2,3-diphenylquinoxaline
CID 1236458
6,7-dimethoxy-4-methylquinazoline
CID 4319422

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-[1,2,5]oxadiazolo[3,4-g][2,1,3]benzoxadiazole?
The IUPAC name of 4-methoxy-[1,2,5]oxadiazolo[3,4-g][2,1,3]benzoxadiazole (CID 4519189) is 4-methoxy-[1,2,5]oxadiazolo[3,4-g][2,1,3]benzoxadiazole.
What is the SMILES notation for 4-methoxy-[1,2,5]oxadiazolo[3,4-g][2,1,3]benzoxadiazole?
The canonical SMILES for 4-methoxy-[1,2,5]oxadiazolo[3,4-g][2,1,3]benzoxadiazole is COc1cc2nonc2c2nonc12.
What is the InChIKey of 4-methoxy-[1,2,5]oxadiazolo[3,4-g][2,1,3]benzoxadiazole?
The InChIKey is MQPDICFVXDIADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N4O3/c1-12-4-2-3-5(9-13-8-3)7-6(4)10-14-11-7/h2H,1H3.
What are the key properties of 4-methoxy-[1,2,5]oxadiazolo[3,4-g][2,1,3]benzoxadiazole?
4-methoxy-[1,2,5]oxadiazolo[3,4-g][2,1,3]benzoxadiazole has a molecular weight of 192.13 g/mol, XLogP of 0.77, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-[1,2,5]oxadiazolo[3,4-g][2,1,3]benzoxadiazole is sourced from PubChem (CID 4519189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).