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

C12H15N3O2 — CID 117338150

IUPAC[3-(2-methoxy-3,6-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCOc1c(C)ccc(C)c1-c1noc(CN)n1
InChIInChI=1S/C12H15N3O2/c1-7-4-5-8(2)11(16-3)10(7)12-14-9(6-13)17-15-12/h4-5H,6,13H2,1-3H3
InChIKeyBGZFEMKBHZCHIM-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.82
Rot. Bonds3

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

[3-(2-methoxy-3,6-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 117338150) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is [3-(2-methoxy-3,6-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(2-methoxy-3,6-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID117338150
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name[3-(2-methoxy-3,6-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCOc1c(C)ccc(C)c1-c1noc(CN)n1
InChIInChI=1S/C12H15N3O2/c1-7-4-5-8(2)11(16-3)10(7)12-14-9(6-13)17-15-12/h4-5H,6,13H2,1-3H3
InChIKeyBGZFEMKBHZCHIM-UHFFFAOYSA-N
XLogP1.82
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(2,3-dimethoxy-4,6-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117412435
[3-(4-chloro-2,3-dimethoxy-6-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117455967
[3-(4-methoxy-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 82390048
[3-(2-chloro-3-methoxy-6-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117387064
[3-(4-methoxy-2,3,6-trimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 115112733
[3-(3-chloro-6-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117397354
[3-(4-methoxy-2,3,5-trimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 82479882
[3-(6-ethyl-2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117412430
[3-(3,4-difluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117354407
[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 86261810
[3-(6-chloro-2,3-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117348084
[3-(4-fluoro-2,5-dimethoxy-3,6-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117451291

Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxy-3,6-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-(2-methoxy-3,6-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine (CID 117338150) is [3-(2-methoxy-3,6-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-(2-methoxy-3,6-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-(2-methoxy-3,6-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine is COc1c(C)ccc(C)c1-c1noc(CN)n1.
What is the InChIKey of [3-(2-methoxy-3,6-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is BGZFEMKBHZCHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-7-4-5-8(2)11(16-3)10(7)12-14-9(6-13)17-15-12/h4-5H,6,13H2,1-3H3.
What are the key properties of [3-(2-methoxy-3,6-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
[3-(2-methoxy-3,6-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 233.27 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxy-3,6-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 117338150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).