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Basic information
- Standard SMILES
Cc1c(-c2ccccc2)c(N2CCC(N(C)C)C2)c2oc(N(C)Cc3ncn[nH]3)nc2c1C#N- InChIKey
ZASZIKQGMCRJBL-UHFFFAOYSA-N- Molecular formula
- C25H28N8O
- Average molar mass
- 456.5 g/mol
- Monoisotopic mass
- 456.23860755
Names & identifiers
- IUPAC
- 7-[3-(dimethylamino)pyrrolidin-1-yl]-5-methyl-2-[methyl(1H-1,2,4-triazol-5-ylmethyl)amino]-6-phenyl-1,3-benzoxazole-4-carbonitrile
Database identifiers
- PubChem CID
- 77526482
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 736
Related reactions
1 records
Compound notes
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