1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-(2-phenyl-1,3-oxazol-4-yl)ethanone

C24H24N6O2 — CID 37130459

About 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-(2-phenyl-1,3-oxazol-4-yl)ethanone

1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-(2-phenyl-1,3-oxazol-4-yl)ethanone (PubChem CID 37130459) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-(2-phenyl-1,3-oxazol-4-yl)ethanone.

Molecular Properties

• Compound Name: 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-(2-phenyl-1,3-oxazol-4-yl)ethanone
• PubChem CID: 37130459
• Molecular Formula: C24H24N6O2
• Molecular Weight: 428.50 g/mol
• Exact Mass: 428.20
• IUPAC Name: 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-(2-phenyl-1,3-oxazol-4-yl)ethanone
• SMILES: Nc1nc(CN2CCN(C(=O)Cc3coc(-c4ccccc4)n3)CC2)nc2ccccc12
• InChI: InChI=1S/C24H24N6O2/c25-23-19-8-4-5-9-20(19)27-21(28-23)15-29-10-12-30(13-11-29)22(31)14-18-16-32-24(26-18)17-6-2-1-3-7-17/h1-9,16H,10-15H2,(H2,25,27,28)
• InChIKey: OAXNZANLRHVBEW-UHFFFAOYSA-N
• XLogP: 2.75
• TPSA: 101.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.50
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-(2-phenyl-1,3-oxazol-4-yl)ethanone?

The IUPAC name of 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-(2-phenyl-1,3-oxazol-4-yl)ethanone (CID 37130459) is 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-(2-phenyl-1,3-oxazol-4-yl)ethanone.

What is the SMILES notation for 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-(2-phenyl-1,3-oxazol-4-yl)ethanone?

The canonical SMILES for 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-(2-phenyl-1,3-oxazol-4-yl)ethanone is Nc1nc(CN2CCN(C(=O)Cc3coc(-c4ccccc4)n3)CC2)nc2ccccc12.

What is the InChIKey of 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-(2-phenyl-1,3-oxazol-4-yl)ethanone?

The InChIKey is OAXNZANLRHVBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c25-23-19-8-4-5-9-20(19)27-21(28-23)15-29-10-12-30(13-11-29)22(31)14-18-16-32-24(26-18)17-6-2-1-3-7-17/h1-9,16H,10-15H2,(H2,25,27,28).

What are the key properties of 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-(2-phenyl-1,3-oxazol-4-yl)ethanone?

1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-(2-phenyl-1,3-oxazol-4-yl)ethanone has a molecular weight of 428.50 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-(2-phenyl-1,3-oxazol-4-yl)ethanone is sourced from PubChem (CID 37130459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).