N-[(4-ethoxyphenyl)methyl]-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine

C25H20FN5O2 — CID 53012984

About N-[(4-ethoxyphenyl)methyl]-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine

N-[(4-ethoxyphenyl)methyl]-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine (PubChem CID 53012984) has the molecular formula C25H20FN5O2 and a molecular weight of 441.47 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine.

Molecular Properties

• Compound Name: N-[(4-ethoxyphenyl)methyl]-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine
• PubChem CID: 53012984
• Molecular Formula: C25H20FN5O2
• Molecular Weight: 441.47 g/mol
• Exact Mass: 441.16
• IUPAC Name: N-[(4-ethoxyphenyl)methyl]-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine
• SMILES: CCOc1ccc(CNc2nc(-c3nnc(-c4ccc(F)cc4)o3)nc3ccccc23)cc1
• InChI: InChI=1S/C25H20FN5O2/c1-2-32-19-13-7-16(8-14-19)15-27-22-20-5-3-4-6-21(20)28-23(29-22)25-31-30-24(33-25)17-9-11-18(26)12-10-17/h3-14H,2,15H2,1H3,(H,27,28,29)
• InChIKey: OSHHFWMSFMMCGR-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 85.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.47
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine?

The IUPAC name of N-[(4-ethoxyphenyl)methyl]-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine (CID 53012984) is N-[(4-ethoxyphenyl)methyl]-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine.

What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine?

The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine is CCOc1ccc(CNc2nc(-c3nnc(-c4ccc(F)cc4)o3)nc3ccccc23)cc1.

What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine?

The InChIKey is OSHHFWMSFMMCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN5O2/c1-2-32-19-13-7-16(8-14-19)15-27-22-20-5-3-4-6-21(20)28-23(29-22)25-31-30-24(33-25)17-9-11-18(26)12-10-17/h3-14H,2,15H2,1H3,(H,27,28,29).

What are the key properties of N-[(4-ethoxyphenyl)methyl]-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine?

N-[(4-ethoxyphenyl)methyl]-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine has a molecular weight of 441.47 g/mol, XLogP of 5.50, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-ethoxyphenyl)methyl]-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine is sourced from PubChem (CID 53012984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).