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

C12H15N3O — CID 62504146

IUPAC[5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]methanamine
SMILESCc1ccc(CCc2nc(CN)no2)cc1
InChIInChI=1S/C12H15N3O/c1-9-2-4-10(5-3-9)6-7-12-14-11(8-13)15-16-12/h2-5H,6-8,13H2,1H3
InChIKeyCWBCWCZITHQAFN-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.62
Rot. Bonds4

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

[5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 62504146) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is [5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID62504146
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name[5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]methanamine
SMILESCc1ccc(CCc2nc(CN)no2)cc1
InChIInChI=1S/C12H15N3O/c1-9-2-4-10(5-3-9)6-7-12-14-11(8-13)15-16-12/h2-5H,6-8,13H2,1H3
InChIKeyCWBCWCZITHQAFN-UHFFFAOYSA-N
XLogP1.62
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 62330251
3-chloro-5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazole
CID 112571906
[4-[2-(3-undecyl-1,2,4-oxadiazol-5-yl)ethyl]phenyl]methanamine
CID 67188414
2-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61335871
N-methyl-2-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 55061768
2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 62330601
1-[5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 62504830
3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 16767874
[5-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 121210194
[5-[(5-methylthiophen-2-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine
CID 130626902
3-[(4-bromophenyl)methyl]-5-[(4-methylphenyl)methyl]-1,2,4-oxadiazole
CID 56648292
2-[5-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 61335873

Frequently Asked Questions

What is the IUPAC name of [5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of [5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]methanamine (CID 62504146) is [5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for [5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for [5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]methanamine is Cc1ccc(CCc2nc(CN)no2)cc1.
What is the InChIKey of [5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is CWBCWCZITHQAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9-2-4-10(5-3-9)6-7-12-14-11(8-13)15-16-12/h2-5H,6-8,13H2,1H3.
What are the key properties of [5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]methanamine?
[5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 217.27 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 62504146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).