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175226-83-2 | Oxazole, 4,5-dihydro-4-(1-methylethyl)-2-(phenylmethyl)-, (4S)-
CAS No: 175226-83-2 Catalog No: AG0020Q4 MDL No:
Product Description
Catalog Number:
AG0020Q4
Chemical Name:
Oxazole, 4,5-dihydro-4-(1-methylethyl)-2-(phenylmethyl)-, (4S)-
CAS Number:
175226-83-2
Molecular Formula:
C13H17NO
Molecular Weight:
203.2802
IUPAC Name:
(4S)-2-benzyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole
InChI:
InChI=1S/C13H17NO/c1-10(2)12-9-15-13(14-12)8-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3/t12-/m1/s1
InChI Key:
KZDIMPAUMSVYLE-GFCCVEGCSA-N
SMILES:
CC([C@H]1COC(=N1)Cc1ccccc1)C
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
203.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.285g/mol
Monoisotopic Mass:
203.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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