Basic information
- CAS
17281-33-3- Standard SMILES
Cc1cc(-c2c(C)[nH]oc2=O)on1- InChIKey
XVQDGVDNOXDOME-UHFFFAOYSA-N- Molecular formula
- C8H8N2O3
- Average molar mass
- 180.16 g/mol
- Monoisotopic mass
- 180.05349212
Names & identifiers
- Preferred name
- 3-Methyl-4-(3-methyl-5(2H)-isoxazolylidene)-5(4H)-isoxazolone
- IUPAC
- 3-methyl-4-(3-methyl-1,2-oxazol-5-yl)-2H-1,2-oxazol-5-one
Names & synonyms
17281-33-33,3'-Dimethyl-[4,5'-biisoxazol]-5(2H)-one[4,5'-Biisoxazol]-5(2H)-one, 3,3'-dimethyl-SCHEMBL6260037DTXSID50425845JWAGDETWQXZLIQ-VOTSOKGWSA-NSAIARCBBXDSCKK-UHFFFAOYSA-N3-Methyl-4-(3-methyl-5(2H)-isoxazolylidene)-5(4H)-isoxazoloneAKOS0408529275-hydroxy-3-methyl-4-(3-methylisooxazol-5-yl)isoxazole5 -hydroxy-3-methyl-4-(3-methylisooxazol-5-yl)isoxazole3-Methyl-4-(3-methyl-1,2-oxazol-5(2H)-ylidene)-1,2-oxazol-5(4H)-one
Show more names
3-METHYL-4-[3-METHYL-5(2H)-ISOXAZOLYLIDEN]-5(4H)-ISOXAZOLONE3-methyl-4-(3-methyl-1,2-oxazol-5(2H)-ylidene)-1,2-oxazol-5(4H)-one--hydrogen chloride (1/1)
Database identifiers
- CAS
17281-33-3- PubChem CID
- 601909
- DTXSID
DTXSID50425845- Nikkaji
- J1.116.586I、J1.392.983A
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 275
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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