[3-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)-1,2,4-oxadiazol-5-yl]methanamine

C16H15N3O4 — CID 117498693

IUPAC[3-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCOc1c2cc(C)oc2c(-c2noc(CN)n2)c2cc(C)oc12
InChIInChI=1S/C16H15N3O4/c1-7-4-9-12(16-18-11(6-17)23-19-16)13-10(5-8(2)21-13)14(20-3)15(9)22-7/h4-5H,6,17H2,1-3H3
InChIKeyIIDCWMLWTSRKNM-UHFFFAOYSA-N
MW313.31 g/mol
LogP3.31
Rot. Bonds3

About [3-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)-1,2,4-oxadiazol-5-yl]methanamine

[3-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 117498693) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is [3-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID117498693
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name[3-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCOc1c2cc(C)oc2c(-c2noc(CN)n2)c2cc(C)oc12
InChIInChI=1S/C16H15N3O4/c1-7-4-9-12(16-18-11(6-17)23-19-16)13-10(5-8(2)21-13)14(20-3)15(9)22-7/h4-5H,6,17H2,1-3H3
InChIKeyIIDCWMLWTSRKNM-UHFFFAOYSA-N
XLogP3.31
TPSA100.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [3-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)-1,2,4-oxadiazol-5-yl]methanamine with MolForge

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Related Compounds

[3-(4-methoxy-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 82390048
[3-(2,3-dimethoxy-4,6-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117412435
[3-(2-methoxy-3,6-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117338150
[3-(4-chloro-2,3-dimethoxy-6-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117455967
[3-(4-methoxy-2,3,6-trimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 115112733
[3-(4-methoxy-2,3,5-trimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 82479882
4-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-3-fluoro-2-methoxy-6-methylphenol
CID 136942270
[3-(4-fluoro-2,5-dimethoxy-3,6-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117451291
[3-(3-chloro-6-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117397354
[3-(5-chloro-3,4-dimethoxy-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117455960
2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-3-bromo-6-methoxy-4-methylphenol
CID 136928767
3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-4,5-dimethoxyphenol
CID 117425975

Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)-1,2,4-oxadiazol-5-yl]methanamine (CID 117498693) is [3-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)-1,2,4-oxadiazol-5-yl]methanamine is COc1c2cc(C)oc2c(-c2noc(CN)n2)c2cc(C)oc12.
What is the InChIKey of [3-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is IIDCWMLWTSRKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-7-4-9-12(16-18-11(6-17)23-19-16)13-10(5-8(2)21-13)14(20-3)15(9)22-7/h4-5H,6,17H2,1-3H3.
What are the key properties of [3-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)-1,2,4-oxadiazol-5-yl]methanamine?
[3-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 313.31 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 117498693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).