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4576-16-3 | benzyl N-[2-(4,4-dimethyl-5-oxo-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]carbamate
CAS No: 4576-16-3 Catalog No: AG01BVMX MDL No:MFCD30486590
Product Description
Catalog Number:
AG01BVMX
Chemical Name:
benzyl N-[2-(4,4-dimethyl-5-oxo-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]carbamate
CAS Number:
4576-16-3
Molecular Formula:
C16H20N2O4
Molecular Weight:
304.3410
MDL Number:
MFCD30486590
IUPAC Name:
benzyl N-[2-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)propan-2-yl]carbamate
InChI:
InChI=1S/C16H20N2O4/c1-15(2,12-17-16(3,4)13(19)22-12)18-14(20)21-10-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3,(H,18,20)
InChI Key:
YQHDVHOCQLVKDR-UHFFFAOYSA-N
SMILES:
O=C(NC(C1=NC(C(=O)O1)(C)C)(C)C)OCc1ccccc1
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.142g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.346g/mol
Monoisotopic Mass:
304.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
77A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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