8YE

[1-(2-hydroxyethyl)pyrrolo[3,4-c]pyrazol-5-yl]-(5-propyl-1,2-oxazol-3-yl)methanone

Created:	2017-03-24
Last modified:	2017-11-15

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1 entries where 8YE is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	0
Bond Count	39
Aromatic Bond Count	14

2D diagram of 8YE

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Chemical Component Summary
Name	[1-(2-hydroxyethyl)pyrrolo[3,4-c]pyrazol-5-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
Systematic Name (OpenEye OEToolkits)	[1-(2-hydroxyethyl)pyrrolo[3,4-c]pyrazol-5-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
Formula	C₁₄ H₁₆ N₄ O₃
Molecular Weight	288.302
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCCc1onc(c1)C(=O)n2cc3cnn(CCO)c3c2
SMILES	OpenEye OEToolkits	2.0.6	CCCc1cc(no1)C(=O)n2cc3cnn(c3c2)CCO
Canonical SMILES	CACTVS	3.385	CCCc1onc(c1)C(=O)n2cc3cnn(CCO)c3c2
Canonical SMILES	OpenEye OEToolkits	2.0.6	CCCc1cc(no1)C(=O)n2cc3cnn(c3c2)CCO
InChI	InChI	1.03	InChI=1S/C14H16N4O3/c1-2-3-11-6-12(16-21-11)14(20)17-8-10-7-15-18(4-5-19)13(10)9-17/h6-9,19H,2-5H2,1H3
InChIKey	InChI	1.03	NYKTWGKCNASWSV-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	131800955

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