A1AXQ

2-(3-bromophenyl)-5-methyl-1,3,4-oxadiazole

Created:	2024-07-11
Last modified:	2025-03-26

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1 entries where A1AXQ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	0
Bond Count	21
Aromatic Bond Count	11

2D diagram of A1AXQ

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Chemical Component Summary
Name	2-(3-bromophenyl)-5-methyl-1,3,4-oxadiazole
Systematic Name (OpenEye OEToolkits)	2-(3-bromophenyl)-5-methyl-1,3,4-oxadiazole
Formula	C₉ H₇ Br N₂ O
Molecular Weight	239.069
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc1nnc(o1)c1cc(Br)ccc1
SMILES	CACTVS	3.385	Cc1oc(nn1)c2cccc(Br)c2
SMILES	OpenEye OEToolkits	2.0.7	Cc1nnc(o1)c2cccc(c2)Br
Canonical SMILES	CACTVS	3.385	Cc1oc(nn1)c2cccc(Br)c2
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1nnc(o1)c2cccc(c2)Br
InChI	InChI	1.06	InChI=1S/C9H7BrN2O/c1-6-11-12-9(13-6)7-3-2-4-8(10)5-7/h2-5H,1H3
InChIKey	InChI	1.06	KFORTEWAPHTQIB-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	26966989

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