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

C13H17N3O3 — CID 117412435

IUPAC[3-(2,3-dimethoxy-4,6-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCOc1c(C)cc(C)c(-c2noc(CN)n2)c1OC
InChIInChI=1S/C13H17N3O3/c1-7-5-8(2)11(17-3)12(18-4)10(7)13-15-9(6-14)19-16-13/h5H,6,14H2,1-4H3
InChIKeyVKCQSZZIIBBVGJ-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.83
Rot. Bonds4

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

[3-(2,3-dimethoxy-4,6-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 117412435) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is [3-(2,3-dimethoxy-4,6-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(2,3-dimethoxy-4,6-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID117412435
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name[3-(2,3-dimethoxy-4,6-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCOc1c(C)cc(C)c(-c2noc(CN)n2)c1OC
InChIInChI=1S/C13H17N3O3/c1-7-5-8(2)11(17-3)12(18-4)10(7)13-15-9(6-14)19-16-13/h5H,6,14H2,1-4H3
InChIKeyVKCQSZZIIBBVGJ-UHFFFAOYSA-N
XLogP1.83
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-(2,3-dimethoxy-4,6-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine with MolForge

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Related Compounds

[3-(4-chloro-2,3-dimethoxy-6-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117455967
[3-(2-methoxy-3,6-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117338150
[3-(4-methoxy-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 82390048
[3-(4-methoxy-2,3,6-trimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 115112733
[3-(4-methoxy-2,3,5-trimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 82479882
[3-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117498693
4-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-3-fluoro-2-methoxy-6-methylphenol
CID 136942270
[3-(4-fluoro-2,5-dimethoxy-3,6-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117451291
[3-(3-chloro-6-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117397354
[3-(5-chloro-3,4-dimethoxy-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117455960
[3-(2-chloro-3-methoxy-6-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117387064
2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-3-bromo-6-methoxy-4-methylphenol
CID 136928767

Frequently Asked Questions

What is the IUPAC name of [3-(2,3-dimethoxy-4,6-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-(2,3-dimethoxy-4,6-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine (CID 117412435) is [3-(2,3-dimethoxy-4,6-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-(2,3-dimethoxy-4,6-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-(2,3-dimethoxy-4,6-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine is COc1c(C)cc(C)c(-c2noc(CN)n2)c1OC.
What is the InChIKey of [3-(2,3-dimethoxy-4,6-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is VKCQSZZIIBBVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-7-5-8(2)11(17-3)12(18-4)10(7)13-15-9(6-14)19-16-13/h5H,6,14H2,1-4H3.
What are the key properties of [3-(2,3-dimethoxy-4,6-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
[3-(2,3-dimethoxy-4,6-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 263.30 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,3-dimethoxy-4,6-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 117412435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).