1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine

C12H15N3O — CID 62337907

IUPAC1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
SMILESCNCc1noc(-c2ccc(C)cc2C)n1
InChIInChI=1S/C12H15N3O/c1-8-4-5-10(9(2)6-8)12-14-11(7-13-3)15-16-12/h4-6,13H,7H2,1-3H3
InChIKeyPCOZGLQTHDXTQX-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.07
Rot. Bonds3

About 1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine

1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine (PubChem CID 62337907) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
PubChem CID62337907
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
SMILESCNCc1noc(-c2ccc(C)cc2C)n1
InChIInChI=1S/C12H15N3O/c1-8-4-5-10(9(2)6-8)12-14-11(7-13-3)15-16-12/h4-6,13H,7H2,1-3H3
InChIKeyPCOZGLQTHDXTQX-UHFFFAOYSA-N
XLogP2.07
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine (CID 62337907) is 1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine is CNCc1noc(-c2ccc(C)cc2C)n1.
What is the InChIKey of 1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine?
The InChIKey is PCOZGLQTHDXTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8-4-5-10(9(2)6-8)12-14-11(7-13-3)15-16-12/h4-6,13H,7H2,1-3H3.
What are the key properties of 1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine?
1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine has a molecular weight of 217.27 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 62337907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).