2-(3,4-dimethoxyphenyl)-5-iodo-1,3,4-oxadiazole

C10H9IN2O3 — CID 114771479

IUPAC2-(3,4-dimethoxyphenyl)-5-iodo-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(I)o2)cc1OC
InChIInChI=1S/C10H9IN2O3/c1-14-7-4-3-6(5-8(7)15-2)9-12-13-10(11)16-9/h3-5H,1-2H3
InChIKeySIBSWUGQDIWXQY-UHFFFAOYSA-N
MW332.10 g/mol
LogP2.36
Rot. Bonds3

About 2-(3,4-dimethoxyphenyl)-5-iodo-1,3,4-oxadiazole

2-(3,4-dimethoxyphenyl)-5-iodo-1,3,4-oxadiazole (PubChem CID 114771479) has the molecular formula C10H9IN2O3 and a molecular weight of 332.10 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-5-iodo-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-5-iodo-1,3,4-oxadiazole
PubChem CID114771479
Molecular FormulaC10H9IN2O3
Molecular Weight332.10 g/mol
Exact Mass331.97
IUPAC Name2-(3,4-dimethoxyphenyl)-5-iodo-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(I)o2)cc1OC
InChIInChI=1S/C10H9IN2O3/c1-14-7-4-3-6(5-8(7)15-2)9-12-13-10(11)16-9/h3-5H,1-2H3
InChIKeySIBSWUGQDIWXQY-UHFFFAOYSA-N
XLogP2.36
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.10
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2,5-bis(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazole
CID 95909464
2-bromo-5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazole
CID 114771100
2-(5-chloro-2-methoxyphenyl)-5-iodo-1,3,4-oxadiazole
CID 114771469
2-(3,4-dimethoxyphenyl)-5-ethylsulfonyl-1,3,4-oxadiazole
CID 56957991
2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 19554615
CID 167685333
CID 167685333
N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,1-bis(methylsulfanyl)methanimine
CID 164938861
2-(3,4-dimethoxyphenyl)-5-(phenoxymethyl)-1,3,4-oxadiazole
CID 17384873
1-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 62857445
2-(3-bromo-4-methylphenyl)-5-iodo-1,3,4-oxadiazole
CID 114771763
2-bromo-N-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110653218
N-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3,5-dimethylaniline
CID 110653155

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-5-iodo-1,3,4-oxadiazole?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-5-iodo-1,3,4-oxadiazole (CID 114771479) is 2-(3,4-dimethoxyphenyl)-5-iodo-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-5-iodo-1,3,4-oxadiazole?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-5-iodo-1,3,4-oxadiazole is COc1ccc(-c2nnc(I)o2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-5-iodo-1,3,4-oxadiazole?
The InChIKey is SIBSWUGQDIWXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IN2O3/c1-14-7-4-3-6(5-8(7)15-2)9-12-13-10(11)16-9/h3-5H,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-5-iodo-1,3,4-oxadiazole?
2-(3,4-dimethoxyphenyl)-5-iodo-1,3,4-oxadiazole has a molecular weight of 332.10 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-5-iodo-1,3,4-oxadiazole is sourced from PubChem (CID 114771479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).