3-(4-methoxyphenyl)-7-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione

C24H15F3N4O4 — CID 53061213

About 3-(4-methoxyphenyl)-7-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione

3-(4-methoxyphenyl)-7-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione (PubChem CID 53061213) has the molecular formula C24H15F3N4O4 and a molecular weight of 480.40 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-7-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione.

Molecular Properties

• Compound Name: 3-(4-methoxyphenyl)-7-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione
• PubChem CID: 53061213
• Molecular Formula: C24H15F3N4O4
• Molecular Weight: 480.40 g/mol
• Exact Mass: 480.10
• IUPAC Name: 3-(4-methoxyphenyl)-7-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione
• SMILES: COc1ccc(-n2c(=O)[nH]c3cc(-c4nc(-c5cccc(C(F)(F)F)c5)no4)ccc3c2=O)cc1
• InChI: InChI=1S/C24H15F3N4O4/c1-34-17-8-6-16(7-9-17)31-22(32)18-10-5-14(12-19(18)28-23(31)33)21-29-20(30-35-21)13-3-2-4-15(11-13)24(25,26)27/h2-12H,1H3,(H,28,33)
• InChIKey: CHPRYQVOEOCQLZ-UHFFFAOYSA-N
• XLogP: 4.42
• TPSA: 103.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.40
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-7-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione?

The IUPAC name of 3-(4-methoxyphenyl)-7-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione (CID 53061213) is 3-(4-methoxyphenyl)-7-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione.

What is the SMILES notation for 3-(4-methoxyphenyl)-7-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione?

The canonical SMILES for 3-(4-methoxyphenyl)-7-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione is COc1ccc(-n2c(=O)[nH]c3cc(-c4nc(-c5cccc(C(F)(F)F)c5)no4)ccc3c2=O)cc1.

What is the InChIKey of 3-(4-methoxyphenyl)-7-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione?

The InChIKey is CHPRYQVOEOCQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F3N4O4/c1-34-17-8-6-16(7-9-17)31-22(32)18-10-5-14(12-19(18)28-23(31)33)21-29-20(30-35-21)13-3-2-4-15(11-13)24(25,26)27/h2-12H,1H3,(H,28,33).

What are the key properties of 3-(4-methoxyphenyl)-7-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione?

3-(4-methoxyphenyl)-7-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione has a molecular weight of 480.40 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-methoxyphenyl)-7-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 53061213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).