2,3,4,5,6-Pentafluoro-N-[3-[5-(1-methylethyl)-2-benzoxazolyl]phenyl]benzamide

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Basic information

CAS: 760204-90-8
Standard SMILES: CC(C)c1ccc2oc(-c3cccc(NC(=O)c4c(F)c(F)c(F)c(F)c4F)c3)nc2c1
InChIKey: WRFARKDRJUIVEO-UHFFFAOYSA-N
Molecular formula: C23H15F5N2O2
Average molar mass: 446.4 g/mol
Monoisotopic mass: 446.10536854

Names & identifiers

Preferred name: 2,3,4,5,6-Pentafluoro-N-[3-[5-(1-methylethyl)-2-benzoxazolyl]phenyl]benzamide
IUPAC: 2,3,4,5,6-pentafluoro-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide

Names & synonyms

DTXSID201139426AKOS0039938532,3,4,5,6-Pentafluoro-N-[3-[5-(1-methylethyl)-2-benzoxazolyl]phenyl]benzamide760204-90-82,3,4,5,6-Pentafluoro-N-{3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}benzamide

Database identifiers

CAS: 760204-90-8
PubChem CID: 4125040
DTXSID: DTXSID201139426

Properties

Computed structural properties

XLogP: 5.9
Topological polar surface area: 55.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 4
Heavy atoms: 32
Formal charge: 0
Complexity: 654

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Compound notes

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