3-[(2R)-butan-2-yl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]quinazoline-2,4-dione

C21H20N4O3 — CID 30850022

About 3-[(2R)-butan-2-yl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]quinazoline-2,4-dione

3-[(2R)-butan-2-yl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]quinazoline-2,4-dione (PubChem CID 30850022) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 3-[(2R)-butan-2-yl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]quinazoline-2,4-dione.

Molecular Properties

• Compound Name: 3-[(2R)-butan-2-yl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]quinazoline-2,4-dione
• PubChem CID: 30850022
• Molecular Formula: C21H20N4O3
• Molecular Weight: 376.42 g/mol
• Exact Mass: 376.15
• IUPAC Name: 3-[(2R)-butan-2-yl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]quinazoline-2,4-dione
• SMILES: CC[C@@H](C)n1c(=O)c2ccccc2n(Cc2nc(-c3ccccc3)no2)c1=O
• InChI: InChI=1S/C21H20N4O3/c1-3-14(2)25-20(26)16-11-7-8-12-17(16)24(21(25)27)13-18-22-19(23-28-18)15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3/t14-/m1/s1
• InChIKey: MZRPBBAKYFJREV-CQSZACIVSA-N
• XLogP: 3.23
• TPSA: 82.92 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.42
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-butan-2-yl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]quinazoline-2,4-dione?

The IUPAC name of 3-[(2R)-butan-2-yl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]quinazoline-2,4-dione (CID 30850022) is 3-[(2R)-butan-2-yl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]quinazoline-2,4-dione.

What is the SMILES notation for 3-[(2R)-butan-2-yl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]quinazoline-2,4-dione?

The canonical SMILES for 3-[(2R)-butan-2-yl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]quinazoline-2,4-dione is CC[C@@H](C)n1c(=O)c2ccccc2n(Cc2nc(-c3ccccc3)no2)c1=O.

What is the InChIKey of 3-[(2R)-butan-2-yl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]quinazoline-2,4-dione?

The InChIKey is MZRPBBAKYFJREV-CQSZACIVSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-3-14(2)25-20(26)16-11-7-8-12-17(16)24(21(25)27)13-18-22-19(23-28-18)15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3/t14-/m1/s1.

What are the key properties of 3-[(2R)-butan-2-yl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]quinazoline-2,4-dione?

3-[(2R)-butan-2-yl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]quinazoline-2,4-dione has a molecular weight of 376.42 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2R)-butan-2-yl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]quinazoline-2,4-dione is sourced from PubChem (CID 30850022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).