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

C14H19N3O — CID 62365728

IUPACN-methyl-2-[5-[2-(3-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCNCCc1noc(CCc2cccc(C)c2)n1
InChIInChI=1S/C14H19N3O/c1-11-4-3-5-12(10-11)6-7-14-16-13(17-18-14)8-9-15-2/h3-5,10,15H,6-9H2,1-2H3
InChIKeyAVXUTUMURCYMCI-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.93
Rot. Bonds6

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

N-methyl-2-[5-[2-(3-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 62365728) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-methyl-2-[5-[2-(3-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[5-[2-(3-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID62365728
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-methyl-2-[5-[2-(3-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCNCCc1noc(CCc2cccc(C)c2)n1
InChIInChI=1S/C14H19N3O/c1-11-4-3-5-12(10-11)6-7-14-16-13(17-18-14)8-9-15-2/h3-5,10,15H,6-9H2,1-2H3
InChIKeyAVXUTUMURCYMCI-UHFFFAOYSA-N
XLogP1.93
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.93
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-(3-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of N-methyl-2-[5-[2-(3-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine (CID 62365728) is N-methyl-2-[5-[2-(3-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[5-[2-(3-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for N-methyl-2-[5-[2-(3-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine is CNCCc1noc(CCc2cccc(C)c2)n1.
What is the InChIKey of N-methyl-2-[5-[2-(3-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is AVXUTUMURCYMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11-4-3-5-12(10-11)6-7-14-16-13(17-18-14)8-9-15-2/h3-5,10,15H,6-9H2,1-2H3.
What are the key properties of N-methyl-2-[5-[2-(3-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine?
N-methyl-2-[5-[2-(3-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 245.33 g/mol, XLogP of 1.93, 6 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-(3-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 62365728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).