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876710-85-9 | 1-(3-PYRIDIN-3-YL-1,2,4-OXADIAZOL-5-YL)ETHANAMINE
CAS No: 876710-85-9 Catalog No: AG004H6B MDL No:MFCD07643183
Product Description
Catalog Number:
AG004H6B
Chemical Name:
1-(3-PYRIDIN-3-YL-1,2,4-OXADIAZOL-5-YL)ETHANAMINE
CAS Number:
876710-85-9
Molecular Formula:
C9H10N4O
Molecular Weight:
190.2019
MDL Number:
MFCD07643183
IUPAC Name:
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
InChI:
InChI=1S/C9H10N4O/c1-6(10)9-12-8(13-14-9)7-3-2-4-11-5-7/h2-6H,10H2,1H3
InChI Key:
SKYPROWPCJGPQF-UHFFFAOYSA-N
SMILES:
CC(c1onc(n1)c1cccnc1)N
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.085g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.206g/mol
Monoisotopic Mass:
190.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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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