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1803593-10-3 | tert-butyl N-{[3-(2,3-dihydro-1-benzofuran-6-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}carbamate
CAS No: 1803593-10-3 Catalog No: AG01B8G4 MDL No:MFCD28348078
Product Description
Catalog Number:
AG01B8G4
Chemical Name:
tert-butyl N-{[3-(2,3-dihydro-1-benzofuran-6-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}carbamate
CAS Number:
1803593-10-3
Molecular Formula:
C17H22N2O4
Molecular Weight:
318.3676
MDL Number:
MFCD28348078
IUPAC Name:
tert-butyl N-[[3-(2,3-dihydro-1-benzofuran-6-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]carbamate
InChI:
InChI=1S/C17H22N2O4/c1-17(2,3)22-16(20)18-10-13-9-14(19-23-13)12-5-4-11-6-7-21-15(11)8-12/h4-5,8,13H,6-7,9-10H2,1-3H3,(H,18,20)
InChI Key:
FYLNEBIYENIGQH-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC1ON=C(C1)c1ccc2c(c1)OCC2
Properties
Complexity:
472
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.158g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.373g/mol
Monoisotopic Mass:
318.158g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
69.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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