N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide

C25H33N5O5 — CID 16599624

About N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 16599624) has the molecular formula C25H33N5O5 and a molecular weight of 483.57 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

• Compound Name: N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
• PubChem CID: 16599624
• Molecular Formula: C25H33N5O5
• Molecular Weight: 483.57 g/mol
• Exact Mass: 483.25
• IUPAC Name: N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
• SMILES: COCCCN(C(=O)CCc1ncc(-c2ccc(C)cc2)o1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
• InChI: InChI=1S/C25H33N5O5/c1-16(2)15-30-23(26)22(24(32)28-25(30)33)29(12-5-13-34-4)21(31)11-10-20-27-14-19(35-20)18-8-6-17(3)7-9-18/h6-9,14,16H,5,10-13,15,26H2,1-4H3,(H,28,32,33)
• InChIKey: AKLGJHUDSDMIMG-UHFFFAOYSA-N
• XLogP: 2.74
• TPSA: 136.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.57
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?

The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide (CID 16599624) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide.

What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?

The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide is COCCCN(C(=O)CCc1ncc(-c2ccc(C)cc2)o1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.

What is the InChIKey of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?

The InChIKey is AKLGJHUDSDMIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O5/c1-16(2)15-30-23(26)22(24(32)28-25(30)33)29(12-5-13-34-4)21(31)11-10-20-27-14-19(35-20)18-8-6-17(3)7-9-18/h6-9,14,16H,5,10-13,15,26H2,1-4H3,(H,28,32,33).

What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 483.57 g/mol, XLogP of 2.74, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 16599624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).