7-(furan-2-yl)-4-methoxy-2,1,3-benzoxadiazole

C11H8N2O3 — CID 168525503

IUPAC7-(furan-2-yl)-4-methoxy-2,1,3-benzoxadiazole
SMILESCOc1ccc(-c2ccco2)c2nonc12
InChIInChI=1S/C11H8N2O3/c1-14-9-5-4-7(8-3-2-6-15-8)10-11(9)13-16-12-10/h2-6H,1H3
InChIKeyVBMDHTRVOXLLSE-UHFFFAOYSA-N
MW216.20 g/mol
LogP2.49
Rot. Bonds2

About 7-(furan-2-yl)-4-methoxy-2,1,3-benzoxadiazole

7-(furan-2-yl)-4-methoxy-2,1,3-benzoxadiazole (PubChem CID 168525503) has the molecular formula C11H8N2O3 and a molecular weight of 216.20 g/mol. Its IUPAC name is 7-(furan-2-yl)-4-methoxy-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name7-(furan-2-yl)-4-methoxy-2,1,3-benzoxadiazole
PubChem CID168525503
Molecular FormulaC11H8N2O3
Molecular Weight216.20 g/mol
Exact Mass216.05
IUPAC Name7-(furan-2-yl)-4-methoxy-2,1,3-benzoxadiazole
SMILESCOc1ccc(-c2ccco2)c2nonc12
InChIInChI=1S/C11H8N2O3/c1-14-9-5-4-7(8-3-2-6-15-8)10-11(9)13-16-12-10/h2-6H,1H3
InChIKeyVBMDHTRVOXLLSE-UHFFFAOYSA-N
XLogP2.49
TPSA61.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl]-7-(furan-2-yl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 11547550
methyl 4-(furan-2-yl)-7-methoxy-2H-indazole-3-carboxylate
CID 168527751
2-(2-bromo-4-methoxyphenyl)furan
CID 168524550
2-(2-ethoxyphenyl)furan
CID 168524531
2-[2-methoxy-4-(trifluoromethoxy)phenyl]furan
CID 168525707
3-(3-ethoxy-4-methoxyphenyl)-5-(furan-2-yl)-1,2,4-oxadiazole
CID 3160321
2-(5-bromo-2-ethoxyphenyl)furan
CID 168526403
2-(2-bromo-4-chloro-5-methoxyphenyl)furan
CID 168525902
1-[4-(furan-2-yl)-3-methoxyphenyl]tetrazole
CID 168525253
[3-acetyloxy-2-[3-(furan-2-yl)-2,6-dimethoxyphenyl]phenyl] acetate
CID 138969494
2-(4-bromo-2-methoxy-3-methylphenyl)furan
CID 168525781
4-(2,5-dimethoxyphenyl)-6-(furan-2-yl)pyrimidin-2-amine
CID 75359770

Frequently Asked Questions

What is the IUPAC name of 7-(furan-2-yl)-4-methoxy-2,1,3-benzoxadiazole?
The IUPAC name of 7-(furan-2-yl)-4-methoxy-2,1,3-benzoxadiazole (CID 168525503) is 7-(furan-2-yl)-4-methoxy-2,1,3-benzoxadiazole.
What is the SMILES notation for 7-(furan-2-yl)-4-methoxy-2,1,3-benzoxadiazole?
The canonical SMILES for 7-(furan-2-yl)-4-methoxy-2,1,3-benzoxadiazole is COc1ccc(-c2ccco2)c2nonc12.
What is the InChIKey of 7-(furan-2-yl)-4-methoxy-2,1,3-benzoxadiazole?
The InChIKey is VBMDHTRVOXLLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3/c1-14-9-5-4-7(8-3-2-6-15-8)10-11(9)13-16-12-10/h2-6H,1H3.
What are the key properties of 7-(furan-2-yl)-4-methoxy-2,1,3-benzoxadiazole?
7-(furan-2-yl)-4-methoxy-2,1,3-benzoxadiazole has a molecular weight of 216.20 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-2-yl)-4-methoxy-2,1,3-benzoxadiazole is sourced from PubChem (CID 168525503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).