Home Nitriles 5-amino-2-benzyl-1,3-oxazole-4-carbonitrile

5-amino-2-benzyl-1,3-oxazole-4-carbonitrile

CAS No.:
887748-74-5
Catalog Number:
AG01B4UF
Molecular Formula:
C11H9N3O
Molecular Weight:
199.2087
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Product Description
Catalog Number:
AG01B4UF
Chemical Name:
5-amino-2-benzyl-1,3-oxazole-4-carbonitrile
CAS Number:
887748-74-5
Molecular Formula:
C11H9N3O
Molecular Weight:
199.2087
MDL Number:
MFCD20720470
IUPAC Name:
5-amino-2-benzyl-1,3-oxazole-4-carbonitrile
InChI:
InChI=1S/C11H9N3O/c12-7-9-11(13)15-10(14-9)6-8-4-2-1-3-5-8/h1-5H,6,13H2
InChI Key:
DCUCOAMWPAFMQZ-UHFFFAOYSA-N
SMILES:
N#Cc1nc(oc1N)Cc1ccccc1
NSC Number:
685116
Properties
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.075g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
199.213g/mol
Monoisotopic Mass:
199.075g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties