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1823266-32-5 | tert-butyl N-{[3-(ethylcarbamoyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}carbamate
CAS No: 1823266-32-5 Catalog No: AG01AV14 MDL No:MFCD27959420
Product Description
Catalog Number:
AG01AV14
Chemical Name:
tert-butyl N-{[3-(ethylcarbamoyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}carbamate
CAS Number:
1823266-32-5
Molecular Formula:
C12H21N3O4
Molecular Weight:
271.3128
MDL Number:
MFCD27959420
IUPAC Name:
tert-butyl N-[[3-(ethylcarbamoyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]carbamate
InChI:
InChI=1S/C12H21N3O4/c1-5-13-10(16)9-6-8(19-15-9)7-14-11(17)18-12(2,3)4/h8H,5-7H2,1-4H3,(H,13,16)(H,14,17)
InChI Key:
XACJVBXJRBHALO-UHFFFAOYSA-N
SMILES:
CCNC(=O)C1=NOC(C1)CNC(=O)OC(C)(C)C
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.153g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
271.317g/mol
Monoisotopic Mass:
271.153g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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