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

C23H24N4O4 — CID 30850052

IUPAC1-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methylpropyl)quinazoline-2,4-dione
SMILESCCOc1ccccc1-c1noc(Cn2c(=O)n(CC(C)C)c(=O)c3ccccc32)n1
InChIInChI=1S/C23H24N4O4/c1-4-30-19-12-8-6-10-17(19)21-24-20(31-25-21)14-26-18-11-7-5-9-16(18)22(28)27(23(26)29)13-15(2)3/h5-12,15H,4,13-14H2,1-3H3
InChIKeyDSFRKAUOENTRKW-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.32
Rot. Bonds7

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

1-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methylpropyl)quinazoline-2,4-dione (PubChem CID 30850052) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 1-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methylpropyl)quinazoline-2,4-dione.

Molecular Properties

Compound Name1-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methylpropyl)quinazoline-2,4-dione
PubChem CID30850052
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name1-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methylpropyl)quinazoline-2,4-dione
SMILESCCOc1ccccc1-c1noc(Cn2c(=O)n(CC(C)C)c(=O)c3ccccc32)n1
InChIInChI=1S/C23H24N4O4/c1-4-30-19-12-8-6-10-17(19)21-24-20(31-25-21)14-26-18-11-7-5-9-16(18)22(28)27(23(26)29)13-15(2)3/h5-12,15H,4,13-14H2,1-3H3
InChIKeyDSFRKAUOENTRKW-UHFFFAOYSA-N
XLogP3.32
TPSA92.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methylpropyl)quinazoline-2,4-dione with MolForge

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Related Compounds

3-butan-2-yl-1-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazoline-2,4-dione
CID 53100980
1-[[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propan-2-ylquinazoline-2,4-dione
CID 53100969
1-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2-phenylethyl)quinazoline-2,4-dione
CID 30850214
3-[(2R)-butan-2-yl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]quinazoline-2,4-dione
CID 30850022
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(3-methoxypropyl)quinazoline-2,4-dione
CID 53100966
2-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 18136323
3-(3,5-dimethylphenyl)-1-[[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazoline-2,4-dione
CID 45499997
3-propyl-1-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]quinazoline-2,4-dione
CID 131702454
1-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol
CID 115534463
7-[2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5H-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione
CID 50758417
5-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 24592755
1-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione
CID 17446085

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methylpropyl)quinazoline-2,4-dione?
The IUPAC name of 1-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methylpropyl)quinazoline-2,4-dione (CID 30850052) is 1-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methylpropyl)quinazoline-2,4-dione.
What is the SMILES notation for 1-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methylpropyl)quinazoline-2,4-dione?
The canonical SMILES for 1-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methylpropyl)quinazoline-2,4-dione is CCOc1ccccc1-c1noc(Cn2c(=O)n(CC(C)C)c(=O)c3ccccc32)n1.
What is the InChIKey of 1-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methylpropyl)quinazoline-2,4-dione?
The InChIKey is DSFRKAUOENTRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-4-30-19-12-8-6-10-17(19)21-24-20(31-25-21)14-26-18-11-7-5-9-16(18)22(28)27(23(26)29)13-15(2)3/h5-12,15H,4,13-14H2,1-3H3.
What are the key properties of 1-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methylpropyl)quinazoline-2,4-dione?
1-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methylpropyl)quinazoline-2,4-dione has a molecular weight of 420.47 g/mol, XLogP of 3.32, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methylpropyl)quinazoline-2,4-dione is sourced from PubChem (CID 30850052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).