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Basic information
- Standard SMILES
O=c1c2cc(-c3ccc(OC(F)(F)F)cc3)ccc2ncn1Cc1nc(CO)co1- InChIKey
SGOFCMXQJMOCGN-UHFFFAOYSA-N- Molecular formula
- C20H14F3N3O4
- Average molar mass
- 417.3 g/mol
- Monoisotopic mass
- 417.09364042
Names & identifiers
- Preferred name
- 3-((4-(hydroxymethyl)oxazol-2-yl)methyl)-6-(4-(trifluoromethoxy)phenyl)quinazolin-4(3H)-one
- IUPAC
- 3-[[4-(hydroxymethyl)-1,3-oxazol-2-yl]methyl]-6-[4-(trifluoromethoxy)phenyl]quinazolin-4-one
Names & synonyms
3-((4-(hydroxymethyl)oxazol-2-yl)methyl)-6-(4-(trifluoromethoxy)phenyl)quinazolin-4(3H)-oneSCHEMBL13717750
Database identifiers
- PubChem CID
- 70974752
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 88.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 639
Related reactions
2 records
Compound notes
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