SJJ

5-(4-METHOXYPHENYL)-N-(PYRIDIN-4-YLMETHYL)-1,3-OXAZOLE-4-CARBOXAMIDE

Created:	2012-01-19
Last modified:	2014-05-01

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1 entries where SJJ 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	17

2D diagram of SJJ

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Chemical Component Summary
Name	5-(4-METHOXYPHENYL)-N-(PYRIDIN-4-YLMETHYL)-1,3-OXAZOLE-4-CARBOXAMIDE
Systematic Name (OpenEye OEToolkits)	5-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide
Formula	C₁₇ H₁₅ N₃ O₃
Molecular Weight	309.319
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(c2ncoc2c1ccc(OC)cc1)NCc3ccncc3
SMILES	CACTVS	3.370	COc1ccc(cc1)c2ocnc2C(=O)NCc3ccncc3
SMILES	OpenEye OEToolkits	1.7.6	COc1ccc(cc1)c2c(nco2)C(=O)NCc3ccncc3
Canonical SMILES	CACTVS	3.370	COc1ccc(cc1)c2ocnc2C(=O)NCc3ccncc3
Canonical SMILES	OpenEye OEToolkits	1.7.6	COc1ccc(cc1)c2c(nco2)C(=O)NCc3ccncc3
InChI	InChI	1.03	InChI=1S/C17H15N3O3/c1-22-14-4-2-13(3-5-14)16-15(20-11-23-16)17(21)19-10-12-6-8-18-9-7-12/h2-9,11H,10H2,1H3,(H,19,21)
InChIKey	InChI	1.03	NDXJIXWTFPGHAI-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	56643097
ChEMBL	CHEMBL1957085

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