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1823776-06-2 | tert-butyl N-({3-[(propan-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazol-5-yl}methyl)carbamate
CAS No: 1823776-06-2 Catalog No: AG01AV15 MDL No:MFCD27959421
Product Description
Catalog Number:
AG01AV15
Chemical Name:
tert-butyl N-({3-[(propan-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazol-5-yl}methyl)carbamate
CAS Number:
1823776-06-2
Molecular Formula:
C13H23N3O4
Molecular Weight:
285.3394
MDL Number:
MFCD27959421
IUPAC Name:
tert-butyl N-[[3-(propan-2-ylcarbamoyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]carbamate
InChI:
InChI=1S/C13H23N3O4/c1-8(2)15-11(17)10-6-9(20-16-10)7-14-12(18)19-13(3,4)5/h8-9H,6-7H2,1-5H3,(H,14,18)(H,15,17)
InChI Key:
RJUIRPGFQZJVIK-UHFFFAOYSA-N
SMILES:
CC(NC(=O)C1=NOC(C1)CNC(=O)OC(C)(C)C)C
Properties
Complexity:
399
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:
6
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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