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

C17H24N6O4 — CID 134045166

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

N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]propanamide (PubChem CID 134045166) has the molecular formula C17H24N6O4 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]propanamide.

Molecular Properties

• Compound Name: N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]propanamide
• PubChem CID: 134045166
• Molecular Formula: C17H24N6O4
• Molecular Weight: 376.42 g/mol
• Exact Mass: 376.19
• IUPAC Name: N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]propanamide
• SMILES: Cc1cc(NC(=O)C(C)N2CCN(CC(=O)Nc3cc(C)on3)CC2)on1
• InChI: InChI=1S/C17H24N6O4/c1-11-8-16(27-20-11)19-17(25)13(3)23-6-4-22(5-7-23)10-15(24)18-14-9-12(2)26-21-14/h8-9,13H,4-7,10H2,1-3H3,(H,19,25)(H,18,21,24)
• InChIKey: DCCAPEJADWOFJT-UHFFFAOYSA-N
• XLogP: 0.86
• TPSA: 116.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.42
LogP ≤ 5	0.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]propanamide (CID 134045166) is N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]propanamide.

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

The canonical SMILES for N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]propanamide is Cc1cc(NC(=O)C(C)N2CCN(CC(=O)Nc3cc(C)on3)CC2)on1.

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

The InChIKey is DCCAPEJADWOFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O4/c1-11-8-16(27-20-11)19-17(25)13(3)23-6-4-22(5-7-23)10-15(24)18-14-9-12(2)26-21-14/h8-9,13H,4-7,10H2,1-3H3,(H,19,25)(H,18,21,24).

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

N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]propanamide has a molecular weight of 376.42 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 134045166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).