N-[3-[(dimethylamino)methyl]phenyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide

C19H21N5O2 — CID 33129363

About N-[3-[(dimethylamino)methyl]phenyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[3-[(dimethylamino)methyl]phenyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 33129363) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[3-[(dimethylamino)methyl]phenyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

• Compound Name: N-[3-[(dimethylamino)methyl]phenyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
• PubChem CID: 33129363
• Molecular Formula: C19H21N5O2
• Molecular Weight: 351.41 g/mol
• Exact Mass: 351.17
• IUPAC Name: N-[3-[(dimethylamino)methyl]phenyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
• SMILES: CN(C)Cc1cccc(NC(=O)CCc2nc(-c3ccccn3)no2)c1
• InChI: InChI=1S/C19H21N5O2/c1-24(2)13-14-6-5-7-15(12-14)21-17(25)9-10-18-22-19(23-26-18)16-8-3-4-11-20-16/h3-8,11-12H,9-10,13H2,1-2H3,(H,21,25)
• InChIKey: RKCDZVKVKBTURK-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 84.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.41
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-[(dimethylamino)methyl]phenyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?

The IUPAC name of N-[3-[(dimethylamino)methyl]phenyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 33129363) is N-[3-[(dimethylamino)methyl]phenyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

What is the SMILES notation for N-[3-[(dimethylamino)methyl]phenyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?

The canonical SMILES for N-[3-[(dimethylamino)methyl]phenyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide is CN(C)Cc1cccc(NC(=O)CCc2nc(-c3ccccn3)no2)c1.

What is the InChIKey of N-[3-[(dimethylamino)methyl]phenyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?

The InChIKey is RKCDZVKVKBTURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-24(2)13-14-6-5-7-15(12-14)21-17(25)9-10-18-22-19(23-26-18)16-8-3-4-11-20-16/h3-8,11-12H,9-10,13H2,1-2H3,(H,21,25).

What are the key properties of N-[3-[(dimethylamino)methyl]phenyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?

N-[3-[(dimethylamino)methyl]phenyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 351.41 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(dimethylamino)methyl]phenyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 33129363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).