Home Other Building Blocks 3-benzyl-5-methyl-4,5-dihydro-1,2,4-oxadiazole

3-benzyl-5-methyl-4,5-dihydro-1,2,4-oxadiazole

CAS No.:
37463-46-0
Catalog Number:
AG01BS8C
Molecular Formula:
C10H12N2O
Molecular Weight:
176.2151
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Product Description
Catalog Number:
AG01BS8C
Chemical Name:
3-benzyl-5-methyl-4,5-dihydro-1,2,4-oxadiazole
CAS Number:
37463-46-0
Molecular Formula:
C10H12N2O
Molecular Weight:
176.2151
MDL Number:
MFCD20662290
IUPAC Name:
3-benzyl-5-methyl-2,5-dihydro-1,2,4-oxadiazole
InChI:
InChI=1S/C10H12N2O/c1-8-11-10(12-13-8)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)
InChI Key:
XOVDKWYUYAJVRS-UHFFFAOYSA-N
SMILES:
CC1ON=C(N1)Cc1ccccc1
Properties
Complexity:
197  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.095g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
176.219g/mol
Monoisotopic Mass:
176.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
33.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties