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1192018-53-3 | Benzoxazole, 5-propyl-2-(4-pyridinyl)-
CAS No: 1192018-53-3 Catalog No: AG000IDB MDL No:
Product Description
Catalog Number:
AG000IDB
Chemical Name:
Benzoxazole, 5-propyl-2-(4-pyridinyl)-
CAS Number:
1192018-53-3
Molecular Formula:
C15H14N2O
Molecular Weight:
238.2845
IUPAC Name:
5-propyl-2-pyridin-4-yl-1,3-benzoxazole
InChI:
InChI=1S/C15H14N2O/c1-2-3-11-4-5-14-13(10-11)17-15(18-14)12-6-8-16-9-7-12/h4-10H,2-3H2,1H3
InChI Key:
BFSHISSBOVTHEE-UHFFFAOYSA-N
SMILES:
CCCc1ccc2c(c1)nc(o2)c1ccncc1
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.111g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.29g/mol
Monoisotopic Mass:
238.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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