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

C19H23N5O — CID 46988650

IUPAC1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine
SMILESC=CCn1cc(CNC(C)c2nc(-c3ccccc3C)no2)c(C)n1
InChIInChI=1S/C19H23N5O/c1-5-10-24-12-16(14(3)22-24)11-20-15(4)19-21-18(23-25-19)17-9-7-6-8-13(17)2/h5-9,12,15,20H,1,10-11H2,2-4H3
InChIKeyQPUWARPDPQQCCE-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.59
Rot. Bonds7

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

1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine (PubChem CID 46988650) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine
PubChem CID46988650
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine
SMILESC=CCn1cc(CNC(C)c2nc(-c3ccccc3C)no2)c(C)n1
InChIInChI=1S/C19H23N5O/c1-5-10-24-12-16(14(3)22-24)11-20-15(4)19-21-18(23-25-19)17-9-7-6-8-13(17)2/h5-9,12,15,20H,1,10-11H2,2-4H3
InChIKeyQPUWARPDPQQCCE-UHFFFAOYSA-N
XLogP3.59
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine (CID 46988650) is 1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine is C=CCn1cc(CNC(C)c2nc(-c3ccccc3C)no2)c(C)n1.
What is the InChIKey of 1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is QPUWARPDPQQCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-5-10-24-12-16(14(3)22-24)11-20-15(4)19-21-18(23-25-19)17-9-7-6-8-13(17)2/h5-9,12,15,20H,1,10-11H2,2-4H3.
What are the key properties of 1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine?
1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 337.43 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 46988650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).