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1193024-89-3 | tert-butyl N-{[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}carbamate
CAS No: 1193024-89-3 Catalog No: AG01B8FZ MDL No:MFCD28348075
Product Description
Catalog Number:
AG01B8FZ
Chemical Name:
tert-butyl N-{[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}carbamate
CAS Number:
1193024-89-3
Molecular Formula:
C16H22N2O4
Molecular Weight:
306.3569
MDL Number:
MFCD28348075
IUPAC Name:
tert-butyl N-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]carbamate
InChI:
InChI=1S/C16H22N2O4/c1-16(2,3)21-15(19)17-10-13-9-14(18-22-13)11-5-7-12(20-4)8-6-11/h5-8,13H,9-10H2,1-4H3,(H,17,19)
InChI Key:
MBUCCJCLSMDFLE-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1=NOC(C1)CNC(=O)OC(C)(C)C
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.158g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.362g/mol
Monoisotopic Mass:
306.158g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
69.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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