4,5-dimethoxy-2-(1,3,4-oxadiazol-2-yl)aniline

C10H11N3O3 — CID 24695672

IUPAC4,5-dimethoxy-2-(1,3,4-oxadiazol-2-yl)aniline
SMILESCOc1cc(N)c(-c2nnco2)cc1OC
InChIInChI=1S/C10H11N3O3/c1-14-8-3-6(10-13-12-5-16-10)7(11)4-9(8)15-2/h3-5H,11H2,1-2H3
InChIKeyKSHDBDFSDPTGEX-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.34
Rot. Bonds3

About 4,5-dimethoxy-2-(1,3,4-oxadiazol-2-yl)aniline

4,5-dimethoxy-2-(1,3,4-oxadiazol-2-yl)aniline (PubChem CID 24695672) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 4,5-dimethoxy-2-(1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound Name4,5-dimethoxy-2-(1,3,4-oxadiazol-2-yl)aniline
PubChem CID24695672
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name4,5-dimethoxy-2-(1,3,4-oxadiazol-2-yl)aniline
SMILESCOc1cc(N)c(-c2nnco2)cc1OC
InChIInChI=1S/C10H11N3O3/c1-14-8-3-6(10-13-12-5-16-10)7(11)4-9(8)15-2/h3-5H,11H2,1-2H3
InChIKeyKSHDBDFSDPTGEX-UHFFFAOYSA-N
XLogP1.34
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-(1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of 4,5-dimethoxy-2-(1,3,4-oxadiazol-2-yl)aniline (CID 24695672) is 4,5-dimethoxy-2-(1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for 4,5-dimethoxy-2-(1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for 4,5-dimethoxy-2-(1,3,4-oxadiazol-2-yl)aniline is COc1cc(N)c(-c2nnco2)cc1OC.
What is the InChIKey of 4,5-dimethoxy-2-(1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is KSHDBDFSDPTGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-14-8-3-6(10-13-12-5-16-10)7(11)4-9(8)15-2/h3-5H,11H2,1-2H3.
What are the key properties of 4,5-dimethoxy-2-(1,3,4-oxadiazol-2-yl)aniline?
4,5-dimethoxy-2-(1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 221.22 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-(1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 24695672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).