5-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-2-methoxyaniline

C13H11N3O3 — CID 100559933

IUPAC5-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-2-methoxyaniline
SMILESCOc1ccc(-c2noc(-c3ccco3)n2)cc1N
InChIInChI=1S/C13H11N3O3/c1-17-10-5-4-8(7-9(10)14)12-15-13(19-16-12)11-3-2-6-18-11/h2-7H,14H2,1H3
InChIKeyCZKGLROJJCYFGI-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.59
Rot. Bonds3

About 5-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-2-methoxyaniline

5-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-2-methoxyaniline (PubChem CID 100559933) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 5-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-2-methoxyaniline.

Molecular Properties

Compound Name5-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-2-methoxyaniline
PubChem CID100559933
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name5-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-2-methoxyaniline
SMILESCOc1ccc(-c2noc(-c3ccco3)n2)cc1N
InChIInChI=1S/C13H11N3O3/c1-17-10-5-4-8(7-9(10)14)12-15-13(19-16-12)11-3-2-6-18-11/h2-7H,14H2,1H3
InChIKeyCZKGLROJJCYFGI-UHFFFAOYSA-N
XLogP2.59
TPSA87.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.59
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

3-(3-ethoxy-4-methoxyphenyl)-5-(furan-2-yl)-1,2,4-oxadiazole
CID 3160321
2-methoxy-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline
CID 63744294
5-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol
CID 79733049
5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-methoxyaniline
CID 115112713
5-(5-benzyl-1,2,4-oxadiazol-3-yl)-2-methoxyaniline
CID 100559808
2-bromo-5-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 107813735
5-(furan-2-yl)-3-(4-methylsulfanylphenyl)-1,2,4-oxadiazole
CID 99964209
3-(3-bromophenyl)-5-(furan-2-yl)-1,2,4-oxadiazole
CID 2989048
6-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-3-methyl-1,3-benzoxazol-2-one
CID 53139211
3-(3,4-dimethoxyphenyl)-5-(4-phenylphenyl)-1,2,4-oxadiazole
CID 8895210
3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 11414183
5-(3-amino-4-methoxyphenyl)-2-methoxyaniline
CID 22646067

Frequently Asked Questions

What is the IUPAC name of 5-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-2-methoxyaniline?
The IUPAC name of 5-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-2-methoxyaniline (CID 100559933) is 5-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-2-methoxyaniline.
What is the SMILES notation for 5-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-2-methoxyaniline?
The canonical SMILES for 5-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-2-methoxyaniline is COc1ccc(-c2noc(-c3ccco3)n2)cc1N.
What is the InChIKey of 5-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-2-methoxyaniline?
The InChIKey is CZKGLROJJCYFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c1-17-10-5-4-8(7-9(10)14)12-15-13(19-16-12)11-3-2-6-18-11/h2-7H,14H2,1H3.
What are the key properties of 5-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-2-methoxyaniline?
5-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-2-methoxyaniline has a molecular weight of 257.25 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-2-methoxyaniline is sourced from PubChem (CID 100559933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).