5Q8

5-azanyl-2-(phenylmethyl)-1,3-oxazole-4-carbonitrile

Created:	2015-11-09
Last modified:	2016-04-27

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1 entries where 5Q8 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	0
Bond Count	25
Aromatic Bond Count	11

2D diagram of 5Q8

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Chemical Component Summary
Name	5-azanyl-2-(phenylmethyl)-1,3-oxazole-4-carbonitrile
Systematic Name (OpenEye OEToolkits)	5-azanyl-2-(phenylmethyl)-1,3-oxazole-4-carbonitrile
Formula	C₁₁ H₉ N₃ O
Molecular Weight	199.209
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Nc1oc(Cc2ccccc2)nc1C#N
SMILES	OpenEye OEToolkits	2.0.4	c1ccc(cc1)Cc2nc(c(o2)N)C#N
Canonical SMILES	CACTVS	3.385	Nc1oc(Cc2ccccc2)nc1C#N
Canonical SMILES	OpenEye OEToolkits	2.0.4	c1ccc(cc1)Cc2nc(c(o2)N)C#N
InChI	InChI	1.03	InChI=1S/C11H9N3O/c12-7-9-11(13)15-10(14-9)6-8-4-2-1-3-5-8/h1-5H,6,13H2
InChIKey	InChI	1.03	DCUCOAMWPAFMQZ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	389296
ChEMBL	CHEMBL1992036

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