1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]propan-2-ol

2.1.2 InChI

InChI=1S/C25H32N4O3/c1-16(2)17-7-9-19(10-8-17)25(31,24(5)14-29(6)15-24)20-11-18(12-26-13-20)21-27-22(32-28-21)23(3,4)30/h7-13,16,30-31H,14-15H2,1-6H3/t25-/m0/s1

2.1.3 InChI Key

RLAQKDLLSLGHQO-VWLOTQADSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Idor-1117-2520

2. 2737274-49-4

3. Orb2565979

4. Schembl26105827

5. Schembl30281923

6. Ex-a9084

7. Hy-162495

8. Cs-1053576

9. H61601

10. 2-[3-[5-[(r)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]pyridin-3-yl]-1,2,4-oxadiazol-5-yl]propan-2-ol

2.3 Create Date

2021-11-30

3 Chemical and Physical Properties

Molecular Formula	C₂₅H₃₂N₄O₃
Molecular Weight	436.5 g/mol
XLogP3	2.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	95.5
Heavy Atom Count	32
Formal Charge	0
Complexity	645
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

IDOR-1117-2520

IDOR-1117-2520

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