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1823774-45-3 | tert-butyl N-{[3-(cyclopropylcarbamoyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}carbamate
CAS No: 1823774-45-3 Catalog No: AG01AV17 MDL No:MFCD27959423
Product Description
Catalog Number:
AG01AV17
Chemical Name:
tert-butyl N-{[3-(cyclopropylcarbamoyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}carbamate
CAS Number:
1823774-45-3
Molecular Formula:
C13H21N3O4
Molecular Weight:
283.3235
MDL Number:
MFCD27959423
IUPAC Name:
tert-butyl N-[[3-(cyclopropylcarbamoyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]carbamate
InChI:
InChI=1S/C13H21N3O4/c1-13(2,3)19-12(18)14-7-9-6-10(16-20-9)11(17)15-8-4-5-8/h8-9H,4-7H2,1-3H3,(H,14,18)(H,15,17)
InChI Key:
DBIDNHOKSISZSQ-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC1ON=C(C1)C(=O)NC1CC1
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.153g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
283.328g/mol
Monoisotopic Mass:
283.153g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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