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

C11H13N3O3 — CID 16767521

IUPAC4,5-dimethoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
SMILESCOc1cc(N)c(-c2nnc(C)o2)cc1OC
InChIInChI=1S/C11H13N3O3/c1-6-13-14-11(17-6)7-4-9(15-2)10(16-3)5-8(7)12/h4-5H,12H2,1-3H3
InChIKeyISEPOMATBWVGJM-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.64
Rot. Bonds3

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

4,5-dimethoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline (PubChem CID 16767521) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 4,5-dimethoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound Name4,5-dimethoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
PubChem CID16767521
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name4,5-dimethoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
SMILESCOc1cc(N)c(-c2nnc(C)o2)cc1OC
InChIInChI=1S/C11H13N3O3/c1-6-13-14-11(17-6)7-4-9(15-2)10(16-3)5-8(7)12/h4-5H,12H2,1-3H3
InChIKeyISEPOMATBWVGJM-UHFFFAOYSA-N
XLogP1.64
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-ethoxy-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
CID 28643066
4,5-dimethoxy-2-(1,3,4-oxadiazol-2-yl)aniline
CID 24695672
[5-(2,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 55034671
ethyl 5-(2-amino-4,5-dimethoxyphenyl)-1,2,4-oxadiazole-3-carboxylate
CID 115970566
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-4,5-dimethoxyaniline
CID 29279587
4,5-dimethoxy-2-(3,4,5-trimethoxyphenyl)aniline
CID 89207272
4,5-dimethoxy-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 82007554
4,5-dimethoxy-2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65419919
5-(5-methoxy-1,3,4-oxadiazol-2-yl)-2,4-dimethylaniline
CID 102706044
5-bromo-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyridin-2-amine
CID 67057573
2-(4,5-dimethyl-1H-imidazol-2-yl)-4,5-dimethoxyaniline
CID 61394101
4,5-dimethoxy-2-(1-pentan-3-yltetrazol-5-yl)aniline
CID 61377736

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of 4,5-dimethoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline (CID 16767521) is 4,5-dimethoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for 4,5-dimethoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for 4,5-dimethoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline is COc1cc(N)c(-c2nnc(C)o2)cc1OC.
What is the InChIKey of 4,5-dimethoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is ISEPOMATBWVGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-6-13-14-11(17-6)7-4-9(15-2)10(16-3)5-8(7)12/h4-5H,12H2,1-3H3.
What are the key properties of 4,5-dimethoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline?
4,5-dimethoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 235.24 g/mol, XLogP of 1.64, 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-(5-methyl-1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 16767521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).