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

C13H17N3O2 — CID 82479882

IUPAC[3-(4-methoxy-2,3,5-trimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCOc1c(C)cc(-c2noc(CN)n2)c(C)c1C
InChIInChI=1S/C13H17N3O2/c1-7-5-10(8(2)9(3)12(7)17-4)13-15-11(6-14)18-16-13/h5H,6,14H2,1-4H3
InChIKeyLBKPOOZRXZKWPI-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.13
Rot. Bonds3

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

[3-(4-methoxy-2,3,5-trimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 82479882) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is [3-(4-methoxy-2,3,5-trimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(4-methoxy-2,3,5-trimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID82479882
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name[3-(4-methoxy-2,3,5-trimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCOc1c(C)cc(-c2noc(CN)n2)c(C)c1C
InChIInChI=1S/C13H17N3O2/c1-7-5-10(8(2)9(3)12(7)17-4)13-15-11(6-14)18-16-13/h5H,6,14H2,1-4H3
InChIKeyLBKPOOZRXZKWPI-UHFFFAOYSA-N
XLogP2.13
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(4-methoxy-2,3,5-trimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine with MolForge

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Related Compounds

[3-(2,3,4,5-tetramethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117334554
[3-(4-methoxy-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 82390048
[3-(5-chloro-3,4-dimethoxy-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117455960
[3-(2,3-dimethoxy-4,6-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117412435
4-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-3-fluoro-2-methoxy-6-methylphenol
CID 136942270
5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-3-fluoro-2-methoxy-6-methylphenol
CID 117385228
[3-(2-methoxy-3,6-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117338150
[3-(4-methoxy-2,3,6-trimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 115112733
[3-(3-chloro-5-methoxy-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117387065
[3-(2,4-difluoro-3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117430536
[3-(4-chloro-2,3-dimethoxy-6-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117455967
[3-(3,4-difluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117354407

Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxy-2,3,5-trimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-(4-methoxy-2,3,5-trimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine (CID 82479882) is [3-(4-methoxy-2,3,5-trimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-(4-methoxy-2,3,5-trimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-(4-methoxy-2,3,5-trimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine is COc1c(C)cc(-c2noc(CN)n2)c(C)c1C.
What is the InChIKey of [3-(4-methoxy-2,3,5-trimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is LBKPOOZRXZKWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-7-5-10(8(2)9(3)12(7)17-4)13-15-11(6-14)18-16-13/h5H,6,14H2,1-4H3.
What are the key properties of [3-(4-methoxy-2,3,5-trimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
[3-(4-methoxy-2,3,5-trimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 247.30 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxy-2,3,5-trimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 82479882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).