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194415-20-8 | Oxazole, 4,5-dihydro-4-phenyl-2-(2-thienylmethyl)-, (R)-
CAS No: 194415-20-8 Catalog No: AG0074LK MDL No:
Product Description
Catalog Number:
AG0074LK
Chemical Name:
Oxazole, 4,5-dihydro-4-phenyl-2-(2-thienylmethyl)-, (R)-
CAS Number:
194415-20-8
Molecular Formula:
C14H13NOS
Molecular Weight:
243.3241
IUPAC Name:
(4R)-4-phenyl-2-(thiophen-2-ylmethyl)-4,5-dihydro-1,3-oxazole
InChI:
InChI=1S/C14H13NOS/c1-2-5-11(6-3-1)13-10-16-14(15-13)9-12-7-4-8-17-12/h1-8,13H,9-10H2/t13-/m0/s1
InChI Key:
PQBPDSTUEAAAGM-ZDUSSCGKSA-N
SMILES:
c1ccc(cc1)[C@@H]1COC(=N1)Cc1cccs1
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
243.072g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.324g/mol
Monoisotopic Mass:
243.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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