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Home > Other Heterocycles > 174823-40-6
174823-40-6 | 2,5-Diazabicyclo[2.2.1]heptane, 2-(3-methyl-1,2,4-oxadiazol-5-yl)-, (1S)- (9CI)
CAS No: 174823-40-6 Catalog No: AG001ZZO MDL No:MFCD18834119
Product Description
Catalog Number:
AG001ZZO
Chemical Name:
2,5-Diazabicyclo[2.2.1]heptane, 2-(3-methyl-1,2,4-oxadiazol-5-yl)-, (1S)- (9CI)
CAS Number:
174823-40-6
Molecular Formula:
C8H12N4O
Molecular Weight:
180.2071
MDL Number:
MFCD18834119
IUPAC Name:
5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-methyl-1,2,4-oxadiazole
InChI:
InChI=1S/C8H12N4O/c1-5-10-8(13-11-5)12-4-6-2-7(12)3-9-6/h6-7,9H,2-4H2,1H3/t6-,7-/m0/s1
InChI Key:
HSZCAANDZDLTKM-BQBZGAKWSA-N
SMILES:
Cc1noc(n1)N1CC2C[C@H]1CN2
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
180.101g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.211g/mol
Monoisotopic Mass:
180.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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