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287963-69-3 | 1-Pyrrolidinecarboxylic acid, 2-[3-[2-(3-pyridinyl)ethyl]-1,2,4-oxadiazol-5-yl]-, 1,1-dimethylethyl ester, (2S)-
CAS No: 287963-69-3 Catalog No: AG002WID MDL No:
Product Description
Catalog Number:
AG002WID
Chemical Name:
1-Pyrrolidinecarboxylic acid, 2-[3-[2-(3-pyridinyl)ethyl]-1,2,4-oxadiazol-5-yl]-, 1,1-dimethylethyl ester, (2S)-
CAS Number:
287963-69-3
Molecular Formula:
C18H24N4O3
Molecular Weight:
344.4082
IUPAC Name:
tert-butyl 2-[3-(2-pyridin-3-ylethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylate
InChI:
InChI=1S/C18H24N4O3/c1-18(2,3)24-17(23)22-11-5-7-14(22)16-20-15(21-25-16)9-8-13-6-4-10-19-12-13/h4,6,10,12,14H,5,7-9,11H2,1-3H3
InChI Key:
SRJDMOLPIZVSAT-UHFFFAOYSA-N
SMILES:
O=C(N1CCC[C@H]1c1onc(n1)CCc1cccnc1)OC(C)(C)C
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.185g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.415g/mol
Monoisotopic Mass:
344.185g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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