A1JE0

2-(4-methoxyphenyl)-5-[(3~{S})-pyrrolidin-3-yl]-1,3,4-oxadiazole

Created:	2025-06-03
Last modified:	2025-12-31

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	1
Bond Count	35
Aromatic Bond Count	11

2D diagram of A1JE0

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Chemical Component Summary
Name	2-(4-methoxyphenyl)-5-[(3~{S})-pyrrolidin-3-yl]-1,3,4-oxadiazole
Systematic Name (OpenEye OEToolkits)	2-(4-methoxyphenyl)-5-[(3~{S})-pyrrolidin-3-yl]-1,3,4-oxadiazole
Formula	C₁₃ H₁₅ N₃ O₂
Molecular Weight	245.277
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COc1ccc(cc1)c2oc(nn2)[CH]3CCNC3
SMILES	OpenEye OEToolkits	2.0.7	COc1ccc(cc1)c2nnc(o2)C3CCNC3
Canonical SMILES	CACTVS	3.385	COc1ccc(cc1)c2oc(nn2)[C@H]3CCNC3
Canonical SMILES	OpenEye OEToolkits	2.0.7	COc1ccc(cc1)c2nnc(o2)[C@H]3CCNC3
InChI	InChI	1.06	InChI=1S/C13H15N3O2/c1-17-11-4-2-9(3-5-11)12-15-16-13(18-12)10-6-7-14-8-10/h2-5,10,14H,6-8H2,1H3/t10-/m0/s1
InChIKey	InChI	1.06	ZTIKEYXZRPGFEB-JTQLQIEISA-N

Related Resource References

Resource Name	Reference
PubChem	51137483

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