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89150-37-8 | Oxazole, 5-methyl-2-pentyl-4-phenyl-
CAS No: 89150-37-8 Catalog No: AG003WSO MDL No:
Product Description
Catalog Number:
AG003WSO
Chemical Name:
Oxazole, 5-methyl-2-pentyl-4-phenyl-
CAS Number:
89150-37-8
Molecular Formula:
C15H19NO
Molecular Weight:
229.3175
IUPAC Name:
5-methyl-2-pentyl-4-phenyl-1,3-oxazole
InChI:
InChI=1S/C15H19NO/c1-3-4-6-11-14-16-15(12(2)17-14)13-9-7-5-8-10-13/h5,7-10H,3-4,6,11H2,1-2H3
InChI Key:
PCMKMYKILWQNCV-UHFFFAOYSA-N
SMILES:
CCCCCc1oc(c(n1)c1ccccc1)C
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.147g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.323g/mol
Monoisotopic Mass:
229.147g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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