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TMP 195 50mg

CAT: 0628-A14326-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A14326-50Size:50 mg
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CAS Number
1314891-22-9

Chemical Information

N-(2-Methyl-2-(2-phenyloxazol-4-yl)propyl)-3-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzamide
CAS Number1314891-22-9
PubChem CID67324851
IUPAC NameN-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
Molecular FormulaC23H19F3N4O3
Molecular Weight456.4
XLogP4.9
Topological Polar Surface Area94.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity672
SMILES
CC(C)(CNC(=O)C1=CC=CC(=C1)C2=NOC(=N2)C(F)(F)F)C3=COC(=N3)C4=CC=CC=C4
InChI
InChI=1S/C23H19F3N4O3/c1-22(2,17-12-32-20(28-17)14-7-4-3-5-8-14)13-27-19(31)16-10-6-9-15(11-16)18-29-21(33-30-18)23(24,25)26/h3-12H,13H2,1-2H3,(H,27,31)
InChIKey
QTCSXAUJBQZZSN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-Methyl-2-(2-phenyloxazol-4-yl)propyl)-3-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzamide
CAS: 1314891-22-9
CID: 67324851
Formula: C23H19F3N4O3
MW: 456.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight456.4
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass456.14092497
Monoisotopic Mass456.14092497
Topological Polar Surface Area94.1 Ų
Heavy Atom Count33
Formal Charge0
Complexity672
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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