Home Nitriles 2-[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]acetonitrile

2-[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]acetonitrile

CAS No.:
852933-96-1
Catalog Number:
AG019O7V
Molecular Formula:
C17H13N3O
Molecular Weight:
275.3046
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Product Description
Catalog Number:
AG019O7V
Chemical Name:
2-[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]acetonitrile
CAS Number:
852933-96-1
Molecular Formula:
C17H13N3O
Molecular Weight:
275.3046
MDL Number:
MFCD06655623
IUPAC Name:
2-(3-benzhydryl-1,2,4-oxadiazol-5-yl)acetonitrile
InChI:
InChI=1S/C17H13N3O/c18-12-11-15-19-17(20-21-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,16H,11H2
InChI Key:
CBJIYVLYWQOWAF-UHFFFAOYSA-N
SMILES:
N#CCc1onc(n1)C(c1ccccc1)c1ccccc1
Properties
Complexity:
348  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.106g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.311g/mol
Monoisotopic Mass:
275.106g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties