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

C16H19N5O — CID 56722162

IUPACN-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
SMILESCc1ccccc1-c1noc(CNC(C)Cn2cccn2)n1
InChIInChI=1S/C16H19N5O/c1-12-6-3-4-7-14(12)16-19-15(22-20-16)10-17-13(2)11-21-9-5-8-18-21/h3-9,13,17H,10-11H2,1-2H3
InChIKeyVDLRHJDUESPBLW-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.42
Rot. Bonds6

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

N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-pyrazol-1-ylpropan-2-amine (PubChem CID 56722162) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-pyrazol-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
PubChem CID56722162
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC NameN-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
SMILESCc1ccccc1-c1noc(CNC(C)Cn2cccn2)n1
InChIInChI=1S/C16H19N5O/c1-12-6-3-4-7-14(12)16-19-15(22-20-16)10-17-13(2)11-21-9-5-8-18-21/h3-9,13,17H,10-11H2,1-2H3
InChIKeyVDLRHJDUESPBLW-UHFFFAOYSA-N
XLogP2.42
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-pyrazol-1-ylpropan-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-methyl-1-{3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}-N-[(1-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 16188253
N-{[3-(2-chlorobenzyl)-1,2,4-oxadiazol-5-yl]methyl}-N-[(1-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine
CID 16190580
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-(1-methyl-1H-pyrazol-4-yl)ethanamine
CID 16191535
US10899753, Example 71
CID 146969351
US10899753, Example 111
CID 148337998
US10899753, Example 18
CID 148610946
US10899753, Example 13
CID 149050905
US10899753, Example 73
CID 149922052
US10899753, Example 89
CID 150457596
US10899753, Example 85
CID 150607604
US10899753, Example 9
CID 150765585
US10899753, Example 74
CID 150825510

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-pyrazol-1-ylpropan-2-amine?
The IUPAC name of N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-pyrazol-1-ylpropan-2-amine (CID 56722162) is N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-pyrazol-1-ylpropan-2-amine.
What is the SMILES notation for N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-pyrazol-1-ylpropan-2-amine?
The canonical SMILES for N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-pyrazol-1-ylpropan-2-amine is Cc1ccccc1-c1noc(CNC(C)Cn2cccn2)n1.
What is the InChIKey of N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-pyrazol-1-ylpropan-2-amine?
The InChIKey is VDLRHJDUESPBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-12-6-3-4-7-14(12)16-19-15(22-20-16)10-17-13(2)11-21-9-5-8-18-21/h3-9,13,17H,10-11H2,1-2H3.
What are the key properties of N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-pyrazol-1-ylpropan-2-amine?
N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-pyrazol-1-ylpropan-2-amine has a molecular weight of 297.36 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-pyrazol-1-ylpropan-2-amine is sourced from PubChem (CID 56722162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).