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

C21H20N4O3 — CID 30850040

IUPAC3-(2-methylpropyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]quinazoline-2,4-dione
SMILESCC(C)Cn1c(=O)c2ccccc2n(Cc2nc(-c3ccccc3)no2)c1=O
InChIInChI=1S/C21H20N4O3/c1-14(2)12-25-20(26)16-10-6-7-11-17(16)24(21(25)27)13-18-22-19(23-28-18)15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3
InChIKeyZIIUGJMPDAFDAV-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.92
Rot. Bonds5

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

3-(2-methylpropyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]quinazoline-2,4-dione (PubChem CID 30850040) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 3-(2-methylpropyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(2-methylpropyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]quinazoline-2,4-dione
PubChem CID30850040
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name3-(2-methylpropyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]quinazoline-2,4-dione
SMILESCC(C)Cn1c(=O)c2ccccc2n(Cc2nc(-c3ccccc3)no2)c1=O
InChIInChI=1S/C21H20N4O3/c1-14(2)12-25-20(26)16-10-6-7-11-17(16)24(21(25)27)13-18-22-19(23-28-18)15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3
InChIKeyZIIUGJMPDAFDAV-UHFFFAOYSA-N
XLogP2.92
TPSA82.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]quinazoline-2,4-dione?
The IUPAC name of 3-(2-methylpropyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]quinazoline-2,4-dione (CID 30850040) is 3-(2-methylpropyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]quinazoline-2,4-dione.
What is the SMILES notation for 3-(2-methylpropyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]quinazoline-2,4-dione?
The canonical SMILES for 3-(2-methylpropyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]quinazoline-2,4-dione is CC(C)Cn1c(=O)c2ccccc2n(Cc2nc(-c3ccccc3)no2)c1=O.
What is the InChIKey of 3-(2-methylpropyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]quinazoline-2,4-dione?
The InChIKey is ZIIUGJMPDAFDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-14(2)12-25-20(26)16-10-6-7-11-17(16)24(21(25)27)13-18-22-19(23-28-18)15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]quinazoline-2,4-dione?
3-(2-methylpropyl)-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 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]quinazoline-2,4-dione is sourced from PubChem (CID 30850040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).