OL1

7-phenyl-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptane-1,1-diol

Created:	2009-05-19
Last modified:	2024-09-27

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1 entries where OL1 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	50
Chiral Atom Count	0
Bond Count	52
Aromatic Bond Count	18

2D diagram of OL1

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Chemical Component Summary
Name	7-phenyl-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptane-1,1-diol
Systematic Name (OpenEye OEToolkits)	7-phenyl-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptane-1,1-diol
Formula	C₂₁ H₂₄ N₂ O₃
Molecular Weight	352.427
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n3c(c1oc(nc1)C(O)(O)CCCCCCc2ccccc2)cccc3
SMILES	CACTVS	3.352	OC(O)(CCCCCCc1ccccc1)c2oc(cn2)c3ccccn3
SMILES	OpenEye OEToolkits	1.6.1	c1ccc(cc1)CCCCCCC(c2ncc(o2)c3ccccn3)(O)O
Canonical SMILES	CACTVS	3.352	OC(O)(CCCCCCc1ccccc1)c2oc(cn2)c3ccccn3
Canonical SMILES	OpenEye OEToolkits	1.6.1	c1ccc(cc1)CCCCCCC(c2ncc(o2)c3ccccn3)(O)O
InChI	InChI	1.03	InChI=1S/C21H24N2O3/c24-21(25,14-8-2-1-4-10-17-11-5-3-6-12-17)20-23-16-19(26-20)18-13-7-9-15-22-18/h3,5-7,9,11-13,15-16,24-25H,1-2,4,8,10,14H2
InChIKey	InChI	1.03	PUCSKUWLMPSADN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	44199326

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