N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propanamide

C17H19N5O3 — CID 135899797

About N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propanamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propanamide (PubChem CID 135899797) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propanamide.

Molecular Properties

• Compound Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propanamide
• PubChem CID: 135899797
• Molecular Formula: C17H19N5O3
• Molecular Weight: 341.37 g/mol
• Exact Mass: 341.15
• IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propanamide
• SMILES: Cc1cc(NC(=O)C(C)N(C)Cc2nc3ccccc3c(=O)[nH]2)no1
• InChI: InChI=1S/C17H19N5O3/c1-10-8-14(21-25-10)19-16(23)11(2)22(3)9-15-18-13-7-5-4-6-12(13)17(24)20-15/h4-8,11H,9H2,1-3H3,(H,18,20,24)(H,19,21,23)
• InChIKey: HROMWZKIGHONSD-UHFFFAOYSA-N
• XLogP: 1.68
• TPSA: 104.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.37
LogP ≤ 5	1.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propanamide (CID 135899797) is N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propanamide.

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

The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propanamide is Cc1cc(NC(=O)C(C)N(C)Cc2nc3ccccc3c(=O)[nH]2)no1.

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

The InChIKey is HROMWZKIGHONSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-10-8-14(21-25-10)19-16(23)11(2)22(3)9-15-18-13-7-5-4-6-12(13)17(24)20-15/h4-8,11H,9H2,1-3H3,(H,18,20,24)(H,19,21,23).

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

N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propanamide has a molecular weight of 341.37 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propanamide is sourced from PubChem (CID 135899797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).