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1192019-96-7 | Benzoxazole, 5-(1,1-dimethylethyl)-2-[3-(1-methylethoxy)-4-pyridinyl]-
CAS No: 1192019-96-7 Catalog No: AG000ID1 MDL No:
Product Description
Catalog Number:
AG000ID1
Chemical Name:
Benzoxazole, 5-(1,1-dimethylethyl)-2-[3-(1-methylethoxy)-4-pyridinyl]-
CAS Number:
1192019-96-7
Molecular Formula:
C19H22N2O2
Molecular Weight:
310.3902
IUPAC Name:
5-tert-butyl-2-(3-propan-2-yloxypyridin-4-yl)-1,3-benzoxazole
InChI:
InChI=1S/C19H22N2O2/c1-12(2)22-17-11-20-9-8-14(17)18-21-15-10-13(19(3,4)5)6-7-16(15)23-18/h6-12H,1-5H3
InChI Key:
AGGPJWNXVJBEEY-UHFFFAOYSA-N
SMILES:
CC(Oc1cnccc1c1nc2c(o1)ccc(c2)C(C)(C)C)C
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.168g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.397g/mol
Monoisotopic Mass:
310.168g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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