[5-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine

C12H15N3O4 — CID 61324376

IUPAC[5-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCOc1ccc(-c2nc(CN)no2)c(OC)c1OC
InChIInChI=1S/C12H15N3O4/c1-16-8-5-4-7(10(17-2)11(8)18-3)12-14-9(6-13)15-19-12/h4-5H,6,13H2,1-3H3
InChIKeyWNACOGCLWNTVCL-UHFFFAOYSA-N
MW265.27 g/mol
LogP1.22
Rot. Bonds5

About [5-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine

[5-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 61324376) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is [5-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID61324376
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name[5-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCOc1ccc(-c2nc(CN)no2)c(OC)c1OC
InChIInChI=1S/C12H15N3O4/c1-16-8-5-4-7(10(17-2)11(8)18-3)12-14-9(6-13)15-19-12/h4-5H,6,13H2,1-3H3
InChIKeyWNACOGCLWNTVCL-UHFFFAOYSA-N
XLogP1.22
TPSA92.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 16767461
[5-(2,3,4-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 62070228
(5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 61324776
[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61326008
3-(2-ethylsulfonylethyl)-5-(5-methoxyisoquinolin-8-yl)-1,2,4-oxadiazole
CID 167752307
[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61323958
[3-(2-chloro-3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117427190
[5-(2,3,4-trimethoxyphenyl)furan-2-yl]methanamine
CID 106888714
3-methoxy-4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107209176
4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxyaniline
CID 107209241
3-(1-methylpiperazin-2-yl)-5-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole;hydrochloride
CID 120959020
[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 107940651

Frequently Asked Questions

What is the IUPAC name of [5-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of [5-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine (CID 61324376) is [5-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for [5-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for [5-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine is COc1ccc(-c2nc(CN)no2)c(OC)c1OC.
What is the InChIKey of [5-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is WNACOGCLWNTVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-16-8-5-4-7(10(17-2)11(8)18-3)12-14-9(6-13)15-19-12/h4-5H,6,13H2,1-3H3.
What are the key properties of [5-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine?
[5-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 265.27 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 61324376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).