N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propanamide

C25H32N4O3 — CID 78841963

About N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propanamide

N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propanamide (PubChem CID 78841963) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propanamide.

Molecular Properties

• Compound Name: N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propanamide
• PubChem CID: 78841963
• Molecular Formula: C25H32N4O3
• Molecular Weight: 436.56 g/mol
• Exact Mass: 436.25
• IUPAC Name: N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propanamide
• SMILES: COc1ccc2cc(CN(C)C(=O)C(C)N3CCN(Cc4cc(C)on4)CC3)ccc2c1
• InChI: InChI=1S/C25H32N4O3/c1-18-13-23(26-32-18)17-28-9-11-29(12-10-28)19(2)25(30)27(3)16-20-5-6-22-15-24(31-4)8-7-21(22)14-20/h5-8,13-15,19H,9-12,16-17H2,1-4H3
• InChIKey: DPJZORZIXHWAPG-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 62.05 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.56
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propanamide?

The IUPAC name of N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propanamide (CID 78841963) is N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propanamide.

What is the SMILES notation for N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propanamide?

The canonical SMILES for N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propanamide is COc1ccc2cc(CN(C)C(=O)C(C)N3CCN(Cc4cc(C)on4)CC3)ccc2c1.

What is the InChIKey of N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propanamide?

The InChIKey is DPJZORZIXHWAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-18-13-23(26-32-18)17-28-9-11-29(12-10-28)19(2)25(30)27(3)16-20-5-6-22-15-24(31-4)8-7-21(22)14-20/h5-8,13-15,19H,9-12,16-17H2,1-4H3.

What are the key properties of N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propanamide?

N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propanamide has a molecular weight of 436.56 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 78841963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).