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

C26H19FN4O3 — CID 135934005

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

2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide (PubChem CID 135934005) has the molecular formula C26H19FN4O3 and a molecular weight of 454.46 g/mol. Its IUPAC name is 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide.

Molecular Properties

• Compound Name: 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
• PubChem CID: 135934005
• Molecular Formula: C26H19FN4O3
• Molecular Weight: 454.46 g/mol
• Exact Mass: 454.14
• IUPAC Name: 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
• SMILES: CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1
• InChI: InChI=1S/C26H19FN4O3/c1-31(15-23-29-21-13-7-5-11-19(21)24(32)30-23)26(33)17-9-3-2-8-16(17)25-28-14-22(34-25)18-10-4-6-12-20(18)27/h2-14H,15H2,1H3,(H,29,30,32)
• InChIKey: XJWFVBZZUXXCIJ-UHFFFAOYSA-N
• XLogP: 4.66
• TPSA: 92.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.46
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide (CID 135934005) is 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide.

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

The canonical SMILES for 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide is CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1.

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

The InChIKey is XJWFVBZZUXXCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN4O3/c1-31(15-23-29-21-13-7-5-11-19(21)24(32)30-23)26(33)17-9-3-2-8-16(17)25-28-14-22(34-25)18-10-4-6-12-20(18)27/h2-14H,15H2,1H3,(H,29,30,32).

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

2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide has a molecular weight of 454.46 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide is sourced from PubChem (CID 135934005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).