[3-(5-methoxy-1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine

C13H14N4O2 — CID 117399233

IUPAC[3-(5-methoxy-1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCOc1cc2ccn(C)c2cc1-c1noc(CN)n1
InChIInChI=1S/C13H14N4O2/c1-17-4-3-8-5-11(18-2)9(6-10(8)17)13-15-12(7-14)19-16-13/h3-6H,7,14H2,1-2H3
InChIKeyZFQHIXNJSZDRLS-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.70
Rot. Bonds3

About [3-(5-methoxy-1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine

[3-(5-methoxy-1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 117399233) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is [3-(5-methoxy-1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(5-methoxy-1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID117399233
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name[3-(5-methoxy-1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCOc1cc2ccn(C)c2cc1-c1noc(CN)n1
InChIInChI=1S/C13H14N4O2/c1-17-4-3-8-5-11(18-2)9(6-10(8)17)13-15-12(7-14)19-16-13/h3-6H,7,14H2,1-2H3
InChIKeyZFQHIXNJSZDRLS-UHFFFAOYSA-N
XLogP1.70
TPSA79.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(4-ethyl-2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117412438
[3-(2,5-dimethoxy-4-propylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117444257
[3-(4,5-dimethoxy-2-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117444259
[3-(2,5-difluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117354397
[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 86261810
[3-(2-chloro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117351733
[3-(2,4-difluoro-3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117430536
[3-(2-bromo-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117456713
[3-(2-chloro-3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117427190
3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4,5-dimethoxybenzaldehyde
CID 117412054
5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-methoxyaniline
CID 115112713
2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-bromo-6-methoxyphenol
CID 136966383

Frequently Asked Questions

What is the IUPAC name of [3-(5-methoxy-1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-(5-methoxy-1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine (CID 117399233) is [3-(5-methoxy-1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-(5-methoxy-1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-(5-methoxy-1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine is COc1cc2ccn(C)c2cc1-c1noc(CN)n1.
What is the InChIKey of [3-(5-methoxy-1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is ZFQHIXNJSZDRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-17-4-3-8-5-11(18-2)9(6-10(8)17)13-15-12(7-14)19-16-13/h3-6H,7,14H2,1-2H3.
What are the key properties of [3-(5-methoxy-1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine?
[3-(5-methoxy-1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 258.28 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-methoxy-1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 117399233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).