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1193146-68-7 | tert-butyl N-{[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}carbamate
CAS No: 1193146-68-7 Catalog No: AG01B8G1 MDL No:MFCD28348076
Product Description
Catalog Number:
AG01B8G1
Chemical Name:
tert-butyl N-{[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}carbamate
CAS Number:
1193146-68-7
Molecular Formula:
C16H22N2O3
Molecular Weight:
290.3575
MDL Number:
MFCD28348076
IUPAC Name:
tert-butyl N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]carbamate
InChI:
InChI=1S/C16H22N2O3/c1-11-5-7-12(8-6-11)14-9-13(21-18-14)10-17-15(19)20-16(2,3)4/h5-8,13H,9-10H2,1-4H3,(H,17,19)
InChI Key:
KJEIJCDBSPYUNM-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC1ON=C(C1)c1ccc(cc1)C
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.163g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.363g/mol
Monoisotopic Mass:
290.163g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
59.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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