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

C12H15N3O2 — CID 82390048

IUPAC[3-(4-methoxy-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCOc1c(C)cc(-c2noc(CN)n2)cc1C
InChIInChI=1S/C12H15N3O2/c1-7-4-9(5-8(2)11(7)16-3)12-14-10(6-13)17-15-12/h4-5H,6,13H2,1-3H3
InChIKeyCWQXRNYGQXPIRI-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.82
Rot. Bonds3

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

[3-(4-methoxy-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 82390048) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is [3-(4-methoxy-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(4-methoxy-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID82390048
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name[3-(4-methoxy-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCOc1c(C)cc(-c2noc(CN)n2)cc1C
InChIInChI=1S/C12H15N3O2/c1-7-4-9(5-8(2)11(7)16-3)12-14-10(6-13)17-15-12/h4-5H,6,13H2,1-3H3
InChIKeyCWQXRNYGQXPIRI-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-(3,4,5-trimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117309504
[3-(2,3-dimethoxy-4,6-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117412435
[3-(4-fluoro-3-methoxy-5-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117346150
[3-(4-methoxy-2,3,5-trimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 82479882
[3-[4-[(2R)-butan-2-yl]oxy-3,5-dimethylphenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 97179423
[3-(4-butan-2-yloxy-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 102548076
[3-(2-methoxy-3,6-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117338150
5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2,3-dimethylaniline
CID 115112711
5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-3-methylbenzene-1,2-diol
CID 136993816
[3-(4-chloro-2,3-dimethoxy-6-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117455967
[3-(4-methoxy-2,3,6-trimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 115112733
5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-3-fluoro-2-methoxybenzonitrile
CID 117372891

Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxy-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-(4-methoxy-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine (CID 82390048) is [3-(4-methoxy-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-(4-methoxy-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-(4-methoxy-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine is COc1c(C)cc(-c2noc(CN)n2)cc1C.
What is the InChIKey of [3-(4-methoxy-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is CWQXRNYGQXPIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-7-4-9(5-8(2)11(7)16-3)12-14-10(6-13)17-15-12/h4-5H,6,13H2,1-3H3.
What are the key properties of [3-(4-methoxy-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
[3-(4-methoxy-3,5-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-(4-methoxy-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 82390048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).