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JWD

Summary
Name:5,7-bis(3,5-dimethyl-1,2-oxazol-4-yl)quinoline
Formula:C19 H17 N3 O2
Formal charge:0
Formula weight:319.357 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.015,7-bis(3,5-dimethyl-1,2-oxazol-4-yl)quinoline
OpenEye OEToolkits2.0.64-[5-(3,5-dimethyl-1,2-oxazol-4-yl)quinolin-7-yl]-3,5-dimethyl-1,2-oxazole

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1c(cc3c(c1c2c(noc2C)C)cccn3)c4c(noc4C)C
InChIInChI1.03InChI=1S/C19H17N3O2/c1-10-18(12(3)23-21-10)14-8-16(19-11(2)22-24-13(19)4)15-6-5-7-20-17(15)9-14/h5-9H,1-4H3
InChIKeyInChI1.03FMFYPUWWJKSKRP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1onc(C)c1c2cc3ncccc3c(c2)c4c(C)onc4C
SMILESCACTVS3.385Cc1onc(C)c1c2cc3ncccc3c(c2)c4c(C)onc4C
SMILES_CANONICALOpenEye OEToolkits2.0.6Cc1c(c(on1)C)c2cc(c3cccnc3c2)c4c(noc4C)C
SMILESOpenEye OEToolkits2.0.6Cc1c(c(on1)C)c2cc(c3cccnc3c2)c4c(noc4C)C

217705

PDB entries from 2024-03-27

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