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101554-05-6 | Benzoxazole, 2-[(4-methoxyphenyl)methyl]-
CAS No: 101554-05-6 Catalog No: AG0004RT MDL No:
Product Description
Catalog Number:
AG0004RT
Chemical Name:
Benzoxazole, 2-[(4-methoxyphenyl)methyl]-
CAS Number:
101554-05-6
Molecular Formula:
C15H13NO2
Molecular Weight:
239.2692
IUPAC Name:
2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole
InChI:
InChI=1S/C15H13NO2/c1-17-12-8-6-11(7-9-12)10-15-16-13-4-2-3-5-14(13)18-15/h2-9H,10H2,1H3
InChI Key:
GWYNJXSRJPAUCL-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Cc1nc2c(o1)cccc2
NSC Number:
715262
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.095g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.274g/mol
Monoisotopic Mass:
239.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Synthesis and HIV-1 reverse transcriptase inhibitor activity of some 2,5,6-substituted benzoxazole, benzimidazole, benzothiazole and oxazolo(4,5-b)pyridine derivatives. | Arzneimittel-Forschung 20030101 |
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