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102504-34-7 | 1,2,4-Oxadiazole, 3-(4-chlorophenyl)-2,3-dihydro-5-[3-(1-pyrrolidinyl)propyl]-, hydrochloride (1:1)
CAS No: 102504-34-7 Catalog No: AG0007MF MDL No:
Product Description
Catalog Number:
AG0007MF
Chemical Name:
1,2,4-Oxadiazole, 3-(4-chlorophenyl)-2,3-dihydro-5-[3-(1-pyrrolidinyl)propyl]-, hydrochloride (1:1)
CAS Number:
102504-34-7
Molecular Formula:
C15H21Cl2N3O
Molecular Weight:
330.2527
IUPAC Name:
2-(4-chlorophenyl)-5-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1,3,4-oxadiazole;chloride
InChI:
InChI=1S/C15H20ClN3O.ClH/c16-13-7-5-12(6-8-13)15-18-17-14(20-15)4-3-11-19-9-1-2-10-19;/h5-8,15,18H,1-4,9-11H2;1H/p-1
InChI Key:
ZFQVYAJFXIBCIF-UHFFFAOYSA-M
SMILES:
Clc1ccc(cc1)C1NOC(=N1)CCCN1CCCC1.Cl
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.098g/mol
Formal Charge:
-1
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
329.245g/mol
Monoisotopic Mass:
328.098g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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