Home Other Building Blocks 3-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol hydrochloride

3-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol hydrochloride

CAS No.:
1803586-91-5
Catalog Number:
AG01BEND
Molecular Formula:
C9H16ClN3O2
Molecular Weight:
233.6952
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Product Description
Catalog Number:
AG01BEND
Chemical Name:
3-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol hydrochloride
CAS Number:
1803586-91-5
Molecular Formula:
C9H16ClN3O2
Molecular Weight:
233.6952
MDL Number:
MFCD28118371
IUPAC Name:
3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol;hydrochloride
InChI:
InChI=1S/C9H15N3O2.ClH/c1-6(2)7-11-8(14-12-7)9(13)3-4-10-5-9;/h6,10,13H,3-5H2,1-2H3;1H
InChI Key:
WRISWZQRJQULHY-UHFFFAOYSA-N
SMILES:
CC(c1noc(n1)C1(O)CNCC1)C.Cl
Properties
Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.093g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
233.696g/mol
Monoisotopic Mass:
233.093g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties