Home Carboxys tert-butyl 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyrrolidine-1-carboxylate

tert-butyl 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyrrolidine-1-carboxylate

CAS No.:
1803571-49-4
Catalog Number:
AG01ABO0
Molecular Formula:
C14H22N2O3S
Molecular Weight:
298.4011
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Product Description
Catalog Number:
AG01ABO0
Chemical Name:
tert-butyl 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyrrolidine-1-carboxylate
CAS Number:
1803571-49-4
Molecular Formula:
C14H22N2O3S
Molecular Weight:
298.4011
MDL Number:
MFCD26935977
IUPAC Name:
tert-butyl 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyrrolidine-1-carboxylate
InChI:
InChI=1S/C14H22N2O3S/c1-10-15-11(9-20-10)8-18-12-5-6-16(7-12)13(17)19-14(2,3)4/h9,12H,5-8H2,1-4H3
InChI Key:
IUJVAGRGWHYMOT-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(C1)OCc1csc(n1)C)OC(C)(C)C
Properties
Complexity:
346  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.135g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.401g/mol
Monoisotopic Mass:
298.135g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
79.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties