1-(5-(tert-Butyl)isoxazol-3-yl)-3-(2-(trifluoromethyl)phenyl)urea

HCID 978007

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Basic information

CAS: 304440-06-0
Standard SMILES: CC(C)(C)c1cc(NC(=O)Nc2ccccc2C(F)(F)F)no1
InChIKey: QLYRYTTVTAYDLF-UHFFFAOYSA-N
Molecular formula: C15H16F3N3O2
Average molar mass: 327.3 g/mol
Monoisotopic mass: 327.11946125

Names & identifiers

Preferred name: 1-(5-(tert-Butyl)isoxazol-3-yl)-3-(2-(trifluoromethyl)phenyl)urea
IUPAC: 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-(trifluoromethyl)phenyl]urea

Names & synonyms

1-(5-(tert-Butyl)isoxazol-3-yl)-3-(2-(trifluoromethyl)phenyl)urea304440-06-01-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-(trifluoromethyl)phenyl]urea1-(5-(Tert-butyl)isoxazol-3(2h)-ylidene)-3-(2-(trifluoromethyl)phenyl)ureaCHEMBL59651DTXSID60359647AKOS003753719DB-336788CS-0272922ST50841022Z1084863572N-(5-tert-Butyl-1,2-oxazol-3-yl)-N'-[2-(trifluoromethyl)phenyl]urea

Show more names

N-[5-(tert-butyl)isoxazol-3-yl]{[2-(trifluoromethyl)phenyl]amino}carboxamide

Database identifiers

CAS: 304440-06-0
PubChem CID: 978007
DTXSID: DTXSID60359647
ChEMBL: CHEMBL59651
Nikkaji: J1.393.833D

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 67.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 23
Formal charge: 0
Complexity: 423

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