N-methyl-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine

C12H15N3O — CID 25220757

IUPACN-methyl-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCNCCc1noc(-c2ccccc2C)n1
InChIInChI=1S/C12H15N3O/c1-9-5-3-4-6-10(9)12-14-11(15-16-12)7-8-13-2/h3-6,13H,7-8H2,1-2H3
InChIKeyXVNRUKWVODFXIW-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.81
Rot. Bonds4

About N-methyl-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine

N-methyl-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 25220757) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is N-methyl-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID25220757
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC NameN-methyl-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCNCCc1noc(-c2ccccc2C)n1
InChIInChI=1S/C12H15N3O/c1-9-5-3-4-6-10(9)12-14-11(15-16-12)7-8-13-2/h3-6,13H,7-8H2,1-2H3
InChIKeyXVNRUKWVODFXIW-UHFFFAOYSA-N
XLogP1.81
TPSA50.95 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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of N-methyl-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 25220757) is N-methyl-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for N-methyl-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine is CNCCc1noc(-c2ccccc2C)n1.
What is the InChIKey of N-methyl-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is XVNRUKWVODFXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9-5-3-4-6-10(9)12-14-11(15-16-12)7-8-13-2/h3-6,13H,7-8H2,1-2H3.
What are the key properties of N-methyl-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine?
N-methyl-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 217.27 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 25220757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).