5-Methoxy-3-(4-(4-oxopent-2-en-2-ylamino)-3-methylphenyl)-3H-(1,3,4)oxadiazol-2-one
Basic information
- Standard SMILES
COc1nn(-c2ccc(NC(C)=CC(C)=O)c(C)c2)c(=O)o1- InChIKey
CFTRDLYCSWTIAM-UHFFFAOYSA-N- Molecular formula
- C15H17N3O4
- Average molar mass
- 303.31 g/mol
Names & identifiers
- Preferred name
- 5-Methoxy-3-(4-(4-oxopent-2-en-2-ylamino)-3-methylphenyl)-3H-(1,3,4)oxadiazol-2-one
- IUPAC
- 5-methoxy-3-[3-methyl-4-(4-oxopent-2-en-2-ylamino)phenyl]-1,3,4-oxadiazol-2-one
Names & synonyms
SCHEMBL7045977CFTRDLYCSWTIAM-UHFFFAOYSA-N5-Methoxy-3-(4-(4-oxopent-2-en-2-ylamino)-3-methylphenyl)-3H-(1,3,4)oxad iazol-2-one5-Methoxy-3-(4-(4-oxopent-2-en-2-ylamino)-3-methylphenyl)-3H-(1,3,4)oxadiazol-2-one
Database identifiers
- PubChem CID
- 69969741
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 80.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 515
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Related reactions
2 records
Compound notes
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