Home Halogens 2-[chloro(phenyl)methyl]-5-(2-cyclopentylethyl)-1,3,4-oxadiazole

2-[chloro(phenyl)methyl]-5-(2-cyclopentylethyl)-1,3,4-oxadiazole

CAS No.:
1096913-02-8
Catalog Number:
AG01A4YC
Molecular Formula:
C16H19ClN2O
Molecular Weight:
290.7879
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Product Description
Catalog Number:
AG01A4YC
Chemical Name:
2-[chloro(phenyl)methyl]-5-(2-cyclopentylethyl)-1,3,4-oxadiazole
CAS Number:
1096913-02-8
Molecular Formula:
C16H19ClN2O
Molecular Weight:
290.7879
MDL Number:
MFCD13663744
IUPAC Name:
2-[chloro(phenyl)methyl]-5-(2-cyclopentylethyl)-1,3,4-oxadiazole
InChI:
InChI=1S/C16H19ClN2O/c17-15(13-8-2-1-3-9-13)16-19-18-14(20-16)11-10-12-6-4-5-7-12/h1-3,8-9,12,15H,4-7,10-11H2
InChI Key:
WFGHFMXJSRNERO-UHFFFAOYSA-N
SMILES:
ClC(c1nnc(o1)CCC1CCCC1)c1ccccc1
Properties
Complexity:
290  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.119g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.791g/mol
Monoisotopic Mass:
290.119g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  
Properties