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1803612-22-7 | tert-butyl N-{[3-(3,4-dimethylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}carbamate
CAS No: 1803612-22-7 Catalog No: AG01B8G2 MDL No:MFCD28348077
Product Description
Catalog Number:
AG01B8G2
Chemical Name:
tert-butyl N-{[3-(3,4-dimethylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}carbamate
CAS Number:
1803612-22-7
Molecular Formula:
C17H24N2O3
Molecular Weight:
304.3841
MDL Number:
MFCD28348077
IUPAC Name:
tert-butyl N-[[3-(3,4-dimethylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]carbamate
InChI:
InChI=1S/C17H24N2O3/c1-11-6-7-13(8-12(11)2)15-9-14(22-19-15)10-18-16(20)21-17(3,4)5/h6-8,14H,9-10H2,1-5H3,(H,18,20)
InChI Key:
KKPSBLMEUDTRKD-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC1ON=C(C1)c1ccc(c(c1)C)C
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.179g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.39g/mol
Monoisotopic Mass:
304.179g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
59.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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