4-[2-(2,6-Difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenol

HCID 19080130

Notes Reactions

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Basic information

CAS: 167856-20-4
Standard SMILES: Oc1ccc(C2COC(c3c(F)cccc3F)=N2)cc1
InChIKey: URJSODFKEVCIAM-UHFFFAOYSA-N
Molecular formula: C15H11F2NO2
Average molar mass: 275.25 g/mol
Monoisotopic mass: 275.07578503

Names & identifiers

Preferred name: 4-[2-(2,6-Difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenol
IUPAC: 4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenol

Names & synonyms

167856-20-44-[2-(2,6-Difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenol4-[(2,6-Difluorophenyl)-4,5-dihydro-4-oxazolyl]phenolCHEMBL2271572SCHEMBL23178803DTXSID30597877URJSODFKEVCIAM-UHFFFAOYSA-N

Database identifiers

CAS: 167856-20-4
PubChem CID: 19080130
DTXSID: DTXSID30597877
ChEMBL: CHEMBL2271572
Nikkaji: J2.386.639K

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 41.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 20
Formal charge: 0
Complexity: 359

Related reactions

4 records

New reaction record

HRID 964318As productuspto-grants-1998_06

HRID 964319As reactantuspto-grants-1998_06

HRID 2293024As productuspto-grants-1997_11

HRID 2293025As reactantuspto-grants-1997_11

Compound notes

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