Basic information
- CAS
86134-18-1- Standard SMILES
Cc1cc(-n2cnc3ccccc3c2=O)on1- InChIKey
LTRHQEBFWROVEA-UHFFFAOYSA-N- Molecular formula
- C12H9N3O2
- Average molar mass
- 227.22 g/mol
- Monoisotopic mass
- 227.06947654
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 3-(3-methyl-5-isoxazolyl)-
- IUPAC
- 3-(3-methyl-1,2-oxazol-5-yl)quinazolin-4-one
Names & synonyms
86134-18-13-(3-Methyl-5-isoxazolyl)-4(3H)-quinazolinoneBRN 44632854(3H)-Quinazolinone, 3-(3-methyl-5-isoxazolyl)-DTXSID60235417RefChem:284051DTXCID60157908LTRHQEBFWROVEA-UHFFFAOYSA-N3-(3-Methylisoxazol-5-yl)quinazolin-4(3H)-one3-(3-methyl-1,2-oxazol-5-yl)-3,4-dihydroquinazolin-4-one3-(3-methyl-1,2-oxazol-5-yl)quinazolin-4(3H)-one
Database identifiers
- CAS
86134-18-1- PubChem CID
- 63301
- DTXSID
DTXSID60235417- Nikkaji
- J481.102J
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 345
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…