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

C11H13N3O2 — CID 61326008

IUPAC[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCOc1cc(-c2nc(CN)no2)ccc1C
InChIInChI=1S/C11H13N3O2/c1-7-3-4-8(5-9(7)15-2)11-13-10(6-12)14-16-11/h3-5H,6,12H2,1-2H3
InChIKeyMSZRXVKSXZUGIK-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.51
Rot. Bonds3

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

[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 61326008) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is [5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID61326008
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCOc1cc(-c2nc(CN)no2)ccc1C
InChIInChI=1S/C11H13N3O2/c1-7-3-4-8(5-9(7)15-2)11-13-10(6-12)14-16-11/h3-5H,6,12H2,1-2H3
InChIKeyMSZRXVKSXZUGIK-UHFFFAOYSA-N
XLogP1.51
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61336066
N-[[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 62343759
N-[[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 62341594
3-chloro-5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole
CID 112572035
[5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 63211461
5-(3,4-dimethoxyphenyl)-3-propyl-1,2,4-oxadiazole
CID 768428
2-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 62342099
2-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 81476100
[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 16767461
[5-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61324376
4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 61412594
4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol
CID 136745795

Frequently Asked Questions

What is the IUPAC name of [5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of [5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methanamine (CID 61326008) is [5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for [5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for [5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methanamine is COc1cc(-c2nc(CN)no2)ccc1C.
What is the InChIKey of [5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is MSZRXVKSXZUGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-7-3-4-8(5-9(7)15-2)11-13-10(6-12)14-16-11/h3-5H,6,12H2,1-2H3.
What are the key properties of [5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methanamine?
[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 219.24 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 61326008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).