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

C12H15N3O4 — CID 55034671

IUPAC[5-(2,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCOc1cc(OC)c(-c2nnc(CN)o2)cc1OC
InChIInChI=1S/C12H15N3O4/c1-16-8-5-10(18-3)9(17-2)4-7(8)12-15-14-11(6-13)19-12/h4-5H,6,13H2,1-3H3
InChIKeyLCJLKRBTISIMDU-UHFFFAOYSA-N
MW265.27 g/mol
LogP1.22
Rot. Bonds5

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

[5-(2,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 55034671) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is [5-(2,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(2,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID55034671
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name[5-(2,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCOc1cc(OC)c(-c2nnc(CN)o2)cc1OC
InChIInChI=1S/C12H15N3O4/c1-16-8-5-10(18-3)9(17-2)4-7(8)12-15-14-11(6-13)19-12/h4-5H,6,13H2,1-3H3
InChIKeyLCJLKRBTISIMDU-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-(2,5-dichloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 96669361
[5-(5-ethyl-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 82475517
[5-(2,3,4-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 62070228
[5-(2,4,5-trimethoxyphenyl)-1,3-oxazol-2-yl]methanamine
CID 65179670
[5-(2,4,5-trimethylphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 82471864
[5-(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 82129884
2,5-bis[4-(chloromethyl)-2,5-dimethoxyphenyl]-1,3,4-oxadiazole
CID 86085980
[5-(3-tert-butyl-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 82133053
3-methoxy-4-(5-propyl-1,3,4-oxadiazol-2-yl)aniline
CID 113452620
2-(chloromethyl)-5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazole
CID 18070785
2-(5-bromo-2-methoxyphenyl)-5-ethyl-1,3,4-oxadiazole
CID 82184372
4,5-dimethoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
CID 16767521

Frequently Asked Questions

What is the IUPAC name of [5-(2,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of [5-(2,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine (CID 55034671) is [5-(2,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(2,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for [5-(2,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine is COc1cc(OC)c(-c2nnc(CN)o2)cc1OC.
What is the InChIKey of [5-(2,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is LCJLKRBTISIMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-16-8-5-10(18-3)9(17-2)4-7(8)12-15-14-11(6-13)19-12/h4-5H,6,13H2,1-3H3.
What are the key properties of [5-(2,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine?
[5-(2,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-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-(2,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 55034671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).