N-[4-methyl-3-[(5-pyridin-3-yl-1,3-oxazol-2-yl)amino]phenyl]-3-piperazin-1-ylpropanamide

C22H26N6O2 — CID 11246764

About N-[4-methyl-3-[(5-pyridin-3-yl-1,3-oxazol-2-yl)amino]phenyl]-3-piperazin-1-ylpropanamide

N-[4-methyl-3-[(5-pyridin-3-yl-1,3-oxazol-2-yl)amino]phenyl]-3-piperazin-1-ylpropanamide (PubChem CID 11246764) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[4-methyl-3-[(5-pyridin-3-yl-1,3-oxazol-2-yl)amino]phenyl]-3-piperazin-1-ylpropanamide.

Molecular Properties

• Compound Name: N-[4-methyl-3-[(5-pyridin-3-yl-1,3-oxazol-2-yl)amino]phenyl]-3-piperazin-1-ylpropanamide
• PubChem CID: 11246764
• Molecular Formula: C22H26N6O2
• Molecular Weight: 406.49 g/mol
• Exact Mass: 406.21
• IUPAC Name: N-[4-methyl-3-[(5-pyridin-3-yl-1,3-oxazol-2-yl)amino]phenyl]-3-piperazin-1-ylpropanamide
• SMILES: Cc1ccc(NC(=O)CCN2CCNCC2)cc1Nc1ncc(-c2cccnc2)o1
• InChI: InChI=1S/C22H26N6O2/c1-16-4-5-18(26-21(29)6-10-28-11-8-23-9-12-28)13-19(16)27-22-25-15-20(30-22)17-3-2-7-24-14-17/h2-5,7,13-15,23H,6,8-12H2,1H3,(H,25,27)(H,26,29)
• InChIKey: MGFIEQNFVMOMCT-UHFFFAOYSA-N
• XLogP: 3.02
• TPSA: 95.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.49
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[(5-pyridin-3-yl-1,3-oxazol-2-yl)amino]phenyl]-3-piperazin-1-ylpropanamide?

The IUPAC name of N-[4-methyl-3-[(5-pyridin-3-yl-1,3-oxazol-2-yl)amino]phenyl]-3-piperazin-1-ylpropanamide (CID 11246764) is N-[4-methyl-3-[(5-pyridin-3-yl-1,3-oxazol-2-yl)amino]phenyl]-3-piperazin-1-ylpropanamide.

What is the SMILES notation for N-[4-methyl-3-[(5-pyridin-3-yl-1,3-oxazol-2-yl)amino]phenyl]-3-piperazin-1-ylpropanamide?

The canonical SMILES for N-[4-methyl-3-[(5-pyridin-3-yl-1,3-oxazol-2-yl)amino]phenyl]-3-piperazin-1-ylpropanamide is Cc1ccc(NC(=O)CCN2CCNCC2)cc1Nc1ncc(-c2cccnc2)o1.

What is the InChIKey of N-[4-methyl-3-[(5-pyridin-3-yl-1,3-oxazol-2-yl)amino]phenyl]-3-piperazin-1-ylpropanamide?

The InChIKey is MGFIEQNFVMOMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-16-4-5-18(26-21(29)6-10-28-11-8-23-9-12-28)13-19(16)27-22-25-15-20(30-22)17-3-2-7-24-14-17/h2-5,7,13-15,23H,6,8-12H2,1H3,(H,25,27)(H,26,29).

What are the key properties of N-[4-methyl-3-[(5-pyridin-3-yl-1,3-oxazol-2-yl)amino]phenyl]-3-piperazin-1-ylpropanamide?

N-[4-methyl-3-[(5-pyridin-3-yl-1,3-oxazol-2-yl)amino]phenyl]-3-piperazin-1-ylpropanamide has a molecular weight of 406.49 g/mol, XLogP of 3.02, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-methyl-3-[(5-pyridin-3-yl-1,3-oxazol-2-yl)amino]phenyl]-3-piperazin-1-ylpropanamide is sourced from PubChem (CID 11246764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).