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251540-53-1 | 1,3,4-Oxadiazole, 2-(1,1-dimethylethyl)-
CAS No: 251540-53-1 Catalog No: AG002QOD MDL No:MFCD08689904
Product Description
Catalog Number:
AG002QOD
Chemical Name:
1,3,4-Oxadiazole, 2-(1,1-dimethylethyl)-
CAS Number:
251540-53-1
Molecular Formula:
C6H10N2O
Molecular Weight:
126.1564
MDL Number:
MFCD08689904
IUPAC Name:
2-tert-butyl-1,3,4-oxadiazole
InChI:
InChI=1S/C6H10N2O/c1-6(2,3)5-8-7-4-9-5/h4H,1-3H3
InChI Key:
SETCKKFZFOFBSI-UHFFFAOYSA-N
SMILES:
CC(c1ocnn1)(C)C
Properties
Complexity:
97.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.079g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.159g/mol
Monoisotopic Mass:
126.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Novel inhibitor for prolyl aminopeptidase from Serratia marcescens and studies on the mechanism of substrate recognition of the enzyme using the inhibitor. | Archives of biochemistry and biophysics 20030815 |
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