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

C18H24N4O3 — CID 3242579

IUPAC3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-morpholin-4-ylethyl)propanamide
SMILESCc1ccc(-c2noc(CCC(=O)NCCN3CCOCC3)n2)cc1
InChIInChI=1S/C18H24N4O3/c1-14-2-4-15(5-3-14)18-20-17(25-21-18)7-6-16(23)19-8-9-22-10-12-24-13-11-22/h2-5H,6-13H2,1H3,(H,19,23)
InChIKeyPNXDAANJFBOIDS-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.43
Rot. Bonds7

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

3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 3242579) has the molecular formula C18H24N4O3 and a molecular weight of 344.41 g/mol. Its IUPAC name is 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID3242579
Molecular FormulaC18H24N4O3
Molecular Weight344.41 g/mol
Exact Mass344.18
IUPAC Name3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-morpholin-4-ylethyl)propanamide
SMILESCc1ccc(-c2noc(CCC(=O)NCCN3CCOCC3)n2)cc1
InChIInChI=1S/C18H24N4O3/c1-14-2-4-15(5-3-14)18-20-17(25-21-18)7-6-16(23)19-8-9-22-10-12-24-13-11-22/h2-5H,6-13H2,1H3,(H,19,23)
InChIKeyPNXDAANJFBOIDS-UHFFFAOYSA-N
XLogP1.43
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-morpholin-4-ylethyl)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-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-morpholin-4-ylethyl)propanamide (CID 3242579) is 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-morpholin-4-ylethyl)propanamide is Cc1ccc(-c2noc(CCC(=O)NCCN3CCOCC3)n2)cc1.
What is the InChIKey of 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is PNXDAANJFBOIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-14-2-4-15(5-3-14)18-20-17(25-21-18)7-6-16(23)19-8-9-22-10-12-24-13-11-22/h2-5H,6-13H2,1H3,(H,19,23).
What are the key properties of 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-morpholin-4-ylethyl)propanamide?
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 344.41 g/mol, XLogP of 1.43, 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-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 3242579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).