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Bilastine Impurity 11

CAT: 1299-RM-B192011-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-B192011-01Size:10 mg
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CAS Number
874895-87-1
Synonyms
4,4-dimethyl-2- (2-phenylpropan-2-yl) -4,5-dihydrooxazole
Molecular Formula
C14H19NO
Molecular Weight
217.31
Target Alternative Name
Bilastine
Product Name Synonym
4,4-dimethyl-2- (2-phenylpropan-2-yl) -4,5-dihydrooxazole

Chemical Information

4,4-dimethyl-2-(2-phenylpropan-2-yl)-5H-1,3-oxazole
CAS Number874895-87-1
PubChem CID86092669
IUPAC Name4,4-dimethyl-2-(2-phenylpropan-2-yl)-5H-1,3-oxazole
Molecular FormulaC14H19NO
Molecular Weight217.31
XLogP2.9
Topological Polar Surface Area21.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity285
SMILES
CC1(COC(=N1)C(C)(C)C2=CC=CC=C2)C
InChI
InChI=1S/C14H19NO/c1-13(2)10-16-12(15-13)14(3,4)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3
InChIKey
NEJAUBJWBBPNGB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,4-dimethyl-2-(2-phenylpropan-2-yl)-5H-1,3-oxazole
CAS: 874895-87-1
CID: 86092669
Formula: C14H19NO
MW: 217.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight217.31
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass217.146664230
Monoisotopic Mass217.146664230
Topological Polar Surface Area21.6 Ų
Heavy Atom Count16
Formal Charge0
Complexity285
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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