6-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-quinazolin-4-one

C13H11N3O2 — CID 135755223

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-quinazolin-4-one
SMILESCc1noc(C)c1-c1ccc2nc[nH]c(=O)c2c1
InChIInChI=1S/C13H11N3O2/c1-7-12(8(2)18-16-7)9-3-4-11-10(5-9)13(17)15-6-14-11/h3-6H,1-2H3,(H,14,15,17)
InChIKeyANSYSZBOLPCYII-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.19
Rot. Bonds1

About 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-quinazolin-4-one

6-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-quinazolin-4-one (PubChem CID 135755223) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-quinazolin-4-one
PubChem CID135755223
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-quinazolin-4-one
SMILESCc1noc(C)c1-c1ccc2nc[nH]c(=O)c2c1
InChIInChI=1S/C13H11N3O2/c1-7-12(8(2)18-16-7)9-3-4-11-10(5-9)13(17)15-6-14-11/h3-6H,1-2H3,(H,14,15,17)
InChIKeyANSYSZBOLPCYII-UHFFFAOYSA-N
XLogP2.19
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-quinazolin-4-one?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-quinazolin-4-one (CID 135755223) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-quinazolin-4-one.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-quinazolin-4-one?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-quinazolin-4-one is Cc1noc(C)c1-c1ccc2nc[nH]c(=O)c2c1.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-quinazolin-4-one?
The InChIKey is ANSYSZBOLPCYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-7-12(8(2)18-16-7)9-3-4-11-10(5-9)13(17)15-6-14-11/h3-6H,1-2H3,(H,14,15,17).
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-quinazolin-4-one?
6-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-quinazolin-4-one has a molecular weight of 241.25 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-quinazolin-4-one is sourced from PubChem (CID 135755223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).