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73150-55-7 | 1,3,4-Oxadiazole, 2-[4-(1,1-dimethylethyl)phenyl]-
CAS No: 73150-55-7 Catalog No: AG005FWV MDL No:
Product Description
Catalog Number:
AG005FWV
Chemical Name:
1,3,4-Oxadiazole, 2-[4-(1,1-dimethylethyl)phenyl]-
CAS Number:
73150-55-7
Molecular Formula:
C12H14N2O
Molecular Weight:
202.2524
IUPAC Name:
2-(4-tert-butylphenyl)-1,3,4-oxadiazole
InChI:
InChI=1S/C12H14N2O/c1-12(2,3)10-6-4-9(5-7-10)11-14-13-8-15-11/h4-8H,1-3H3
InChI Key:
CRGSMSNUTNRNQM-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)c1nnco1)(C)C
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.257g/mol
Monoisotopic Mass:
202.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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