Home Other Building Blocks 2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepane hydrochloride

2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepane hydrochloride

CAS No.:
1461708-83-7
Catalog Number:
AG01A6XO
Molecular Formula:
C14H18ClN3O
Molecular Weight:
279.7652
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Product Description
Catalog Number:
AG01A6XO
Chemical Name:
2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepane hydrochloride
CAS Number:
1461708-83-7
Molecular Formula:
C14H18ClN3O
Molecular Weight:
279.7652
MDL Number:
MFCD25970476
IUPAC Name:
3-(azepan-2-yl)-5-phenyl-1,2,4-oxadiazole;hydrochloride
InChI:
InChI=1S/C14H17N3O.ClH/c1-3-7-11(8-4-1)14-16-13(17-18-14)12-9-5-2-6-10-15-12;/h1,3-4,7-8,12,15H,2,5-6,9-10H2;1H
InChI Key:
QYVWGQGJYBVORD-UHFFFAOYSA-N
SMILES:
C1CCNC(CC1)c1noc(n1)c1ccccc1.Cl
Properties
Complexity:
255  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.114g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
279.768g/mol
Monoisotopic Mass:
279.114g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
51A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties