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49837-50-5 | 2-METHYL-5-(PIPERIDIN-1-YL)-1,3-OXAZOLE-4-CARBONITRILE
CAS No: 49837-50-5 Catalog No: AG01BULI MDL No:MFCD00522012
Product Description
Catalog Number:
AG01BULI
Chemical Name:
2-METHYL-5-(PIPERIDIN-1-YL)-1,3-OXAZOLE-4-CARBONITRILE
CAS Number:
49837-50-5
Molecular Formula:
C10H13N3O
Molecular Weight:
191.2297
MDL Number:
MFCD00522012
IUPAC Name:
2-methyl-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
InChI:
InChI=1S/C10H13N3O/c1-8-12-9(7-11)10(14-8)13-5-3-2-4-6-13/h2-6H2,1H3
InChI Key:
HIMMHVRRXMLVHY-UHFFFAOYSA-N
SMILES:
N#Cc1nc(oc1N1CCCCC1)C
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.106g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.234g/mol
Monoisotopic Mass:
191.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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