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

C12H15N3O4 — CID 43559200

IUPAC1,2,4-oxadiazol-3-yl-(3,4,5-trimethoxyphenyl)methanamine
SMILESCOc1cc(C(N)c2ncon2)cc(OC)c1OC
InChIInChI=1S/C12H15N3O4/c1-16-8-4-7(5-9(17-2)11(8)18-3)10(13)12-14-6-19-15-12/h4-6,10H,13H2,1-3H3
InChIKeyJCGDRPQYWYYOGB-UHFFFAOYSA-N
MW265.27 g/mol
LogP1.14
Rot. Bonds5

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

1,2,4-oxadiazol-3-yl-(3,4,5-trimethoxyphenyl)methanamine (PubChem CID 43559200) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 1,2,4-oxadiazol-3-yl-(3,4,5-trimethoxyphenyl)methanamine.

Molecular Properties

Compound Name1,2,4-oxadiazol-3-yl-(3,4,5-trimethoxyphenyl)methanamine
PubChem CID43559200
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name1,2,4-oxadiazol-3-yl-(3,4,5-trimethoxyphenyl)methanamine
SMILESCOc1cc(C(N)c2ncon2)cc(OC)c1OC
InChIInChI=1S/C12H15N3O4/c1-16-8-4-7(5-9(17-2)11(8)18-3)10(13)12-14-6-19-15-12/h4-6,10H,13H2,1-3H3
InChIKeyJCGDRPQYWYYOGB-UHFFFAOYSA-N
XLogP1.14
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 ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1,2,4-oxadiazol-3-yl-(4-propan-2-yloxyphenyl)methanamine
CID 54932919
furan-3-yl-(3,4,5-trimethoxyphenyl)methanamine
CID 115855557
(1S)-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171199595
(4-fluorophenyl)-(3,4,5-trimethoxyphenyl)methanamine
CID 24688997
(1R)-2-fluoro-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 28820340
(2R)-2-amino-2-(3,4,5-trimethoxyphenyl)acetonitrile
CID 28701279
(1S)-2,2,2-trifluoro-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 66512237
1-(3-ethoxy-4,5-dimethoxyphenyl)ethanamine
CID 175788959
trimethylsilyl 2-(3,4,5-trimethoxyphenyl)-2-trimethylsilyloxyacetate
CID 622785
(1R)-1-(3,4,5-trimethoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171199597
1-(3,4,5-trimethoxyphenyl)butane-1,3-diamine
CID 116933323
2-amino-2-(3,4,5-trimethoxyphenyl)acetic acid
CID 5100265

Frequently Asked Questions

What is the IUPAC name of 1,2,4-oxadiazol-3-yl-(3,4,5-trimethoxyphenyl)methanamine?
The IUPAC name of 1,2,4-oxadiazol-3-yl-(3,4,5-trimethoxyphenyl)methanamine (CID 43559200) is 1,2,4-oxadiazol-3-yl-(3,4,5-trimethoxyphenyl)methanamine.
What is the SMILES notation for 1,2,4-oxadiazol-3-yl-(3,4,5-trimethoxyphenyl)methanamine?
The canonical SMILES for 1,2,4-oxadiazol-3-yl-(3,4,5-trimethoxyphenyl)methanamine is COc1cc(C(N)c2ncon2)cc(OC)c1OC.
What is the InChIKey of 1,2,4-oxadiazol-3-yl-(3,4,5-trimethoxyphenyl)methanamine?
The InChIKey is JCGDRPQYWYYOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-16-8-4-7(5-9(17-2)11(8)18-3)10(13)12-14-6-19-15-12/h4-6,10H,13H2,1-3H3.
What are the key properties of 1,2,4-oxadiazol-3-yl-(3,4,5-trimethoxyphenyl)methanamine?
1,2,4-oxadiazol-3-yl-(3,4,5-trimethoxyphenyl)methanamine has a molecular weight of 265.27 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-oxadiazol-3-yl-(3,4,5-trimethoxyphenyl)methanamine is sourced from PubChem (CID 43559200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).