WQ3

2-{[(2M)-5-chloro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl}cyclopent-1-ene-1-carboxylic acid

Created:	2023-05-15
Last modified:	2023-06-14

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1 entries where WQ3 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	0
Bond Count	40
Aromatic Bond Count	11

2D diagram of WQ3

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Chemical Component Summary
Name	2-{[(2M)-5-chloro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl}cyclopent-1-ene-1-carboxylic acid
Systematic Name (OpenEye OEToolkits)	2-[[5-chloranyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
Formula	C₁₆ H₁₄ Cl N₃ O₄
Molecular Weight	347.753
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc1nc(on1)c1ccc(Cl)cc1NC(=O)C=1CCCC=1C(=O)O
SMILES	CACTVS	3.385	Cc1noc(n1)c2ccc(Cl)cc2NC(=O)C3=C(CCC3)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	Cc1nc(on1)c2ccc(cc2NC(=O)C3=C(CCC3)C(=O)O)Cl
Canonical SMILES	CACTVS	3.385	Cc1noc(n1)c2ccc(Cl)cc2NC(=O)C3=C(CCC3)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1nc(on1)c2ccc(cc2NC(=O)C3=C(CCC3)C(=O)O)Cl
InChI	InChI	1.06	InChI=1S/C16H14ClN3O4/c1-8-18-15(24-20-8)12-6-5-9(17)7-13(12)19-14(21)10-3-2-4-11(10)16(22)23/h5-7H,2-4H2,1H3,(H,19,21)(H,22,23)
InChIKey	InChI	1.06	ITTMFAALHYWDBB-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	168300929

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