UCSF

ZINC01494943

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2004 10 Yes

Popular Name: Ethyl 1,2,4-oxadiazole-3-carboxylate Ethyl 1,2,4-oxadiazole-3-carboxy…

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CAS Numbers: 16223-25-9 , 39512-59-9 , 39512-99-9

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.01 0.89 -10.73 0 5 0 65 142.114 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 31 - 33 Enamine Building Blocks
MP 31...33 Enamine Building Blocks
BP 88-90°/2.3mm Fluorochem
BP 88-90°/3mm Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95%+ Fluorochem
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.