2-(3-benzyl-2,4-dioxoquinazolin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C21H18N4O4 — CID 3244838

IUPAC2-(3-benzyl-2,4-dioxoquinazolin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2c(=O)n(Cc3ccccc3)c(=O)c3ccccc32)no1
InChIInChI=1S/C21H18N4O4/c1-14-11-18(23-29-14)22-19(26)13-24-17-10-6-5-9-16(17)20(27)25(21(24)28)12-15-7-3-2-4-8-15/h2-11H,12-13H2,1H3,(H,22,23,26)
InChIKeyHSYYMTSXZFJKBQ-UHFFFAOYSA-N
MW390.40 g/mol
LogP2.15
Rot. Bonds5

About 2-(3-benzyl-2,4-dioxoquinazolin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-(3-benzyl-2,4-dioxoquinazolin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 3244838) has the molecular formula C21H18N4O4 and a molecular weight of 390.40 g/mol. Its IUPAC name is 2-(3-benzyl-2,4-dioxoquinazolin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-benzyl-2,4-dioxoquinazolin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID3244838
Molecular FormulaC21H18N4O4
Molecular Weight390.40 g/mol
Exact Mass390.13
IUPAC Name2-(3-benzyl-2,4-dioxoquinazolin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2c(=O)n(Cc3ccccc3)c(=O)c3ccccc32)no1
InChIInChI=1S/C21H18N4O4/c1-14-11-18(23-29-14)22-19(26)13-24-17-10-6-5-9-16(17)20(27)25(21(24)28)12-15-7-3-2-4-8-15/h2-11H,12-13H2,1H3,(H,22,23,26)
InChIKeyHSYYMTSXZFJKBQ-UHFFFAOYSA-N
XLogP2.15
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-2,4-dioxoquinazolin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(3-benzyl-2,4-dioxoquinazolin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 3244838) is 2-(3-benzyl-2,4-dioxoquinazolin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(3-benzyl-2,4-dioxoquinazolin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(3-benzyl-2,4-dioxoquinazolin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)Cn2c(=O)n(Cc3ccccc3)c(=O)c3ccccc32)no1.
What is the InChIKey of 2-(3-benzyl-2,4-dioxoquinazolin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is HSYYMTSXZFJKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4/c1-14-11-18(23-29-14)22-19(26)13-24-17-10-6-5-9-16(17)20(27)25(21(24)28)12-15-7-3-2-4-8-15/h2-11H,12-13H2,1H3,(H,22,23,26).
What are the key properties of 2-(3-benzyl-2,4-dioxoquinazolin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-(3-benzyl-2,4-dioxoquinazolin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 390.40 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-2,4-dioxoquinazolin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 3244838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).