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

C18H21N5O2 — CID 47026941

IUPAC3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-pyrazol-1-ylpropan-2-yl)propanamide
SMILESCc1ccc(-c2noc(CCC(=O)NC(C)Cn3cccn3)n2)cc1
InChIInChI=1S/C18H21N5O2/c1-13-4-6-15(7-5-13)18-21-17(25-22-18)9-8-16(24)20-14(2)12-23-11-3-10-19-23/h3-7,10-11,14H,8-9,12H2,1-2H3,(H,20,24)
InChIKeyWZEZETKUNRMVIA-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.38
Rot. Bonds7

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

3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-pyrazol-1-ylpropan-2-yl)propanamide (PubChem CID 47026941) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-pyrazol-1-ylpropan-2-yl)propanamide.

Molecular Properties

Compound Name3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-pyrazol-1-ylpropan-2-yl)propanamide
PubChem CID47026941
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-pyrazol-1-ylpropan-2-yl)propanamide
SMILESCc1ccc(-c2noc(CCC(=O)NC(C)Cn3cccn3)n2)cc1
InChIInChI=1S/C18H21N5O2/c1-13-4-6-15(7-5-13)18-21-17(25-22-18)9-8-16(24)20-14(2)12-23-11-3-10-19-23/h3-7,10-11,14H,8-9,12H2,1-2H3,(H,20,24)
InChIKeyWZEZETKUNRMVIA-UHFFFAOYSA-N
XLogP2.38
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-pyrazol-1-ylpropan-2-yl)propanamide 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 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-pyrazol-1-ylpropan-2-yl)propanamide?
The IUPAC name of 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-pyrazol-1-ylpropan-2-yl)propanamide (CID 47026941) is 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-pyrazol-1-ylpropan-2-yl)propanamide.
What is the SMILES notation for 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-pyrazol-1-ylpropan-2-yl)propanamide?
The canonical SMILES for 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-pyrazol-1-ylpropan-2-yl)propanamide is Cc1ccc(-c2noc(CCC(=O)NC(C)Cn3cccn3)n2)cc1.
What is the InChIKey of 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-pyrazol-1-ylpropan-2-yl)propanamide?
The InChIKey is WZEZETKUNRMVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-13-4-6-15(7-5-13)18-21-17(25-22-18)9-8-16(24)20-14(2)12-23-11-3-10-19-23/h3-7,10-11,14H,8-9,12H2,1-2H3,(H,20,24).
What are the key properties of 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-pyrazol-1-ylpropan-2-yl)propanamide?
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-pyrazol-1-ylpropan-2-yl)propanamide has a molecular weight of 339.40 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-pyrazol-1-ylpropan-2-yl)propanamide is sourced from PubChem (CID 47026941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).