3-(furan-2-ylmethyl)-1-[[3-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazoline-2,4-dione

C25H22N4O5 — CID 45498978

About 3-(furan-2-ylmethyl)-1-[[3-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazoline-2,4-dione

3-(furan-2-ylmethyl)-1-[[3-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazoline-2,4-dione (PubChem CID 45498978) has the molecular formula C25H22N4O5 and a molecular weight of 458.47 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-1-[[3-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazoline-2,4-dione.

Molecular Properties

• Compound Name: 3-(furan-2-ylmethyl)-1-[[3-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazoline-2,4-dione
• PubChem CID: 45498978
• Molecular Formula: C25H22N4O5
• Molecular Weight: 458.47 g/mol
• Exact Mass: 458.16
• IUPAC Name: 3-(furan-2-ylmethyl)-1-[[3-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazoline-2,4-dione
• SMILES: CC(C)Oc1ccc(-c2noc(Cn3c(=O)n(Cc4ccco4)c(=O)c4ccccc43)n2)cc1
• InChI: InChI=1S/C25H22N4O5/c1-16(2)33-18-11-9-17(10-12-18)23-26-22(34-27-23)15-28-21-8-4-3-7-20(21)24(30)29(25(28)31)14-19-6-5-13-32-19/h3-13,16H,14-15H2,1-2H3
• InChIKey: LWKAUUPXDGEQAE-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 105.29 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.47
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-1-[[3-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazoline-2,4-dione?

The IUPAC name of 3-(furan-2-ylmethyl)-1-[[3-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazoline-2,4-dione (CID 45498978) is 3-(furan-2-ylmethyl)-1-[[3-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazoline-2,4-dione.

What is the SMILES notation for 3-(furan-2-ylmethyl)-1-[[3-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazoline-2,4-dione?

The canonical SMILES for 3-(furan-2-ylmethyl)-1-[[3-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazoline-2,4-dione is CC(C)Oc1ccc(-c2noc(Cn3c(=O)n(Cc4ccco4)c(=O)c4ccccc43)n2)cc1.

What is the InChIKey of 3-(furan-2-ylmethyl)-1-[[3-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazoline-2,4-dione?

The InChIKey is LWKAUUPXDGEQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O5/c1-16(2)33-18-11-9-17(10-12-18)23-26-22(34-27-23)15-28-21-8-4-3-7-20(21)24(30)29(25(28)31)14-19-6-5-13-32-19/h3-13,16H,14-15H2,1-2H3.

What are the key properties of 3-(furan-2-ylmethyl)-1-[[3-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazoline-2,4-dione?

3-(furan-2-ylmethyl)-1-[[3-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazoline-2,4-dione has a molecular weight of 458.47 g/mol, XLogP of 3.69, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(furan-2-ylmethyl)-1-[[3-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazoline-2,4-dione is sourced from PubChem (CID 45498978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).