3-[3-[1-[(4-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)propanamide

C24H24ClFN4O2 — CID 46358218

About 3-[3-[1-[(4-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)propanamide

3-[3-[1-[(4-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)propanamide (PubChem CID 46358218) has the molecular formula C24H24ClFN4O2 and a molecular weight of 454.93 g/mol. Its IUPAC name is 3-[3-[1-[(4-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)propanamide.

Molecular Properties

• Compound Name: 3-[3-[1-[(4-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)propanamide
• PubChem CID: 46358218
• Molecular Formula: C24H24ClFN4O2
• Molecular Weight: 454.93 g/mol
• Exact Mass: 454.16
• IUPAC Name: 3-[3-[1-[(4-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)propanamide
• SMILES: Cc1ccc(NC(=O)CCc2nc(C3=CCN(Cc4ccc(Cl)cc4)CC3)no2)cc1F
• InChI: InChI=1S/C24H24ClFN4O2/c1-16-2-7-20(14-21(16)26)27-22(31)8-9-23-28-24(29-32-23)18-10-12-30(13-11-18)15-17-3-5-19(25)6-4-17/h2-7,10,14H,8-9,11-13,15H2,1H3,(H,27,31)
• InChIKey: IYPXDZZEMPEVLP-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 71.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	454.93
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-[(4-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)propanamide?

The IUPAC name of 3-[3-[1-[(4-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)propanamide (CID 46358218) is 3-[3-[1-[(4-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)propanamide.

What is the SMILES notation for 3-[3-[1-[(4-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)propanamide?

The canonical SMILES for 3-[3-[1-[(4-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)propanamide is Cc1ccc(NC(=O)CCc2nc(C3=CCN(Cc4ccc(Cl)cc4)CC3)no2)cc1F.

What is the InChIKey of 3-[3-[1-[(4-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)propanamide?

The InChIKey is IYPXDZZEMPEVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN4O2/c1-16-2-7-20(14-21(16)26)27-22(31)8-9-23-28-24(29-32-23)18-10-12-30(13-11-18)15-17-3-5-19(25)6-4-17/h2-7,10,14H,8-9,11-13,15H2,1H3,(H,27,31).

What are the key properties of 3-[3-[1-[(4-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)propanamide?

3-[3-[1-[(4-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)propanamide has a molecular weight of 454.93 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[1-[(4-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)propanamide is sourced from PubChem (CID 46358218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).