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161198-49-8 | 4-Oxazolecarboxylic acid, 4,5-dihydro-2,5-diphenyl-, ethyl ester, (4R,5S)-rel-
CAS No: 161198-49-8 Catalog No: AG001S8P MDL No:
Product Description
Catalog Number:
AG001S8P
Chemical Name:
4-Oxazolecarboxylic acid, 4,5-dihydro-2,5-diphenyl-, ethyl ester, (4R,5S)-rel-
CAS Number:
161198-49-8
Molecular Formula:
C18H17NO3
Molecular Weight:
295.3325
IUPAC Name:
ethyl (4R,5S)-2,5-diphenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
InChI:
InChI=1S/C18H17NO3/c1-2-21-18(20)15-16(13-9-5-3-6-10-13)22-17(19-15)14-11-7-4-8-12-14/h3-12,15-16H,2H2,1H3/t15-,16+/m1/s1
InChI Key:
UTCAQOIBIWRLBN-CVEARBPZSA-N
SMILES:
CCOC(=O)[C@@H]1N=C(O[C@H]1c1ccccc1)c1ccccc1
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
295.121g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.338g/mol
Monoisotopic Mass:
295.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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