Text Search
Structure Search

3-phenyl-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole; trifluoroacetic acid

3-phenyl-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole; trifluoroacetic acid

CAS: 1609388-39-7

Formula: C14H14F3N3O3

SMILES: OC(=O)C(F)(F)F.C1CN[C@@H](C1)C1=NC(=NO1)C1=CC=CC=C1

IUPAC: 3-phenyl-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole; trifluoroacetic acid

InChI: InChI=1S/C12H13N3O.C2HF3O2/c1-2-5-9(6-3-1)11-14-12(16-15-11)10-7-4-8-13-10;3-2(4,5)1(6)7/h1-3,5-6,10,13H,4,7-8H2;(H,6,7)/t10-;/m0./s1

Composition: C (51.07%), H (4.29%), F (17.31%), N (12.76%), O (14.58%)

Molar Mass: 329.279

Atom Count: 37

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 329.098725812
Formal Charge 0
FSP3 0.36
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey XCBHREWNSSKKQF-PPHPATTJSA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.95
Topological Polar Surface Area 50.95
Polarizability 23.88
Ring Count 3
Rotatable Bond Count 3

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
ChemBridge Corp.
Purity LeadTime CAS PacketSize UnitPrice
95% <4 Days 1609388-39-7 $28.75-$815.35$28.75$93.15$232.30$465.75$708.40$815.35
Request Quote