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1823267-11-3 | tert-butyl N-{[3-(propylcarbamoyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}carbamate
CAS No: 1823267-11-3 Catalog No: AG01AV16 MDL No:MFCD27959422
Product Description
Catalog Number:
AG01AV16
Chemical Name:
tert-butyl N-{[3-(propylcarbamoyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}carbamate
CAS Number:
1823267-11-3
Molecular Formula:
C13H23N3O4
Molecular Weight:
285.3394
MDL Number:
MFCD27959422
IUPAC Name:
tert-butyl N-[[3-(propylcarbamoyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]carbamate
InChI:
InChI=1S/C13H23N3O4/c1-5-6-14-11(17)10-7-9(20-16-10)8-15-12(18)19-13(2,3)4/h9H,5-8H2,1-4H3,(H,14,17)(H,15,18)
InChI Key:
RMONTIAVAVBHBQ-UHFFFAOYSA-N
SMILES:
CCCNC(=O)C1=NOC(C1)CNC(=O)OC(C)(C)C
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.169g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
285.344g/mol
Monoisotopic Mass:
285.169g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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