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114212-81-6

114212-81-6 | 1-Pyrrolidinecarboximidamide, N-(3-phenyl-1,2,4-oxadiazol-5-yl)-

CAS No: 114212-81-6 Catalog No: AG000AT6 MDL No:

Product Description

Catalog Number:
AG000AT6
Chemical Name:
1-Pyrrolidinecarboximidamide, N-(3-phenyl-1,2,4-oxadiazol-5-yl)-
CAS Number:
114212-81-6
Molecular Formula:
C13H15N5O
Molecular Weight:
257.2911
IUPAC Name:
N'-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboximidamide
InChI:
InChI=1S/C13H15N5O/c14-12(18-8-4-5-9-18)16-13-15-11(17-19-13)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H2,14,15,16,17)
InChI Key:
OZQFPNWMYWQOFJ-UHFFFAOYSA-N
SMILES:
N=C(N1CCCC1)Nc1onc(n1)c1ccccc1

Properties

Complexity:
323  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.128g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
257.297g/mol
Monoisotopic Mass:
257.128g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
80.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
1.7  

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