1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N,N-diethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine;phosphoric acid

2.1.2 InChI

InChI=1S/C14H19N3O.H3O4P/c1-3-17(4-2)11-10-13-15-14(16-18-13)12-8-6-5-7-9-12;1-5(2,3)4/h5-9H,3-4,10-11H2,1-2H3;(H3,1,2,3,4)

2.1.3 InChI Key

PSCWWFOVTFSDGZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCN(CC)CCC1=NC(=NO1)C2=CC=CC=C2.OP(=O)(O)O

2.2 Other Identifiers

2.2.1 UNII

DMG78UE3PU

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 1949-19-5

2. Oxolamine Monophosphate

3. 131378-45-5

4. Dmg78ue3pu

5. N,n-diethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine Phosphate

6. 1,2,4-oxadiazole-5-ethanamine, N,n-diethyl-3-phenyl-, Phosphate (1:1)

7. 5-(2-(diethylamino)ethyl)-3-phenyl-1,2,4-oxadiazole Phosphate

8. N,n-diethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine;phosphoric Acid

9. Unii-dmg78ue3pu

10. Af-438 Phosphate

11. Skf-9976 Phosphate

12. Dtxsid90157017

13. Oxadiazole, 1,2,4-, 5beta-diethylaminoethyl-3-phenyl-, Phosphate

14. Oxolamine Phosphate [who-dd]

15. D08317

16. Q27276484

17. N,n-diethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanaminephosphate

2.4 Create Date

2006-04-28

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₂₂N₃O₅P
Molecular Weight	343.32 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Exact Mass	343.12970781 g/mol
Monoisotopic Mass	343.12970781 g/mol
Topological Polar Surface Area	120 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	277
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

Oxolamine Phosphate

Oxolamine Phosphate

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