1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(4-chlorophenoxy)-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide

2.1.2 InChI

InChI=1S/C20H19ClF3N3O4/c21-12-1-3-13(4-2-12)29-7-15(28)25-19-8-18(9-19,10-19)17-27-26-16(30-17)11-5-14(6-11)31-20(22,23)24/h1-4,11,14H,5-10H2,(H,25,28)

2.1.3 InChI Key

IKPNRMYDOSNVAU-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1C(CC1OC(F)(F)F)C2=NN=C(O2)C34CC(C3)(C4)NC(=O)COC5=CC=C(C=C5)Cl

2.2 Other Identifiers

2.2.1 UNII

FYL3Y9D7SK

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Dnl343

2. Dnl-343

3. 2278265-85-1

4. Fyl3y9d7sk

5. Schembl20734077

6. Schembl23358949

7. Schembl24226229

8. Gtpl12940

9. Ikpnrmydosnvau-uhfffaoysa-n

10. Ex-a8745

11. Hy-149555

12. Cs-0895874

13. Acetamide, 2-(4-chlorophenoxy)-n-(3-(5-(cis-3-(trifluoromethoxy)cyclobutyl)-1,3,4-oxadiazol-2-yl)bicyclo(1.1.1)pent-1-yl)-

2.4 Create Date

2019-03-16

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₁₉ClF₃N₃O₄
Molecular Weight	457.8 g/mol
XLogP3	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	7
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	86.5
Heavy Atom Count	31
Formal Charge	0
Complexity	678
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	1

DNL343

DNL343

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