3-[[5-(5-methylfuran-2-yl)-7-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]oxy]propanenitrile

C15H10F3N3O3 — CID 2985863

IUPAC3-[[5-(5-methylfuran-2-yl)-7-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]oxy]propanenitrile
SMILESCc1ccc(-c2cc(C(F)(F)F)c3nc(OCCC#N)oc3n2)o1
InChIInChI=1S/C15H10F3N3O3/c1-8-3-4-11(23-8)10-7-9(15(16,17)18)12-13(20-10)24-14(21-12)22-6-2-5-19/h3-4,7H,2,6H2,1H3
InChIKeyAGOQIKRPLHMLQN-UHFFFAOYSA-N
MW337.26 g/mol
LogP4.10
Rot. Bonds4

About 3-[[5-(5-methylfuran-2-yl)-7-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]oxy]propanenitrile

3-[[5-(5-methylfuran-2-yl)-7-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]oxy]propanenitrile (PubChem CID 2985863) has the molecular formula C15H10F3N3O3 and a molecular weight of 337.26 g/mol. Its IUPAC name is 3-[[5-(5-methylfuran-2-yl)-7-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]oxy]propanenitrile.

Molecular Properties

Compound Name3-[[5-(5-methylfuran-2-yl)-7-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]oxy]propanenitrile
PubChem CID2985863
Molecular FormulaC15H10F3N3O3
Molecular Weight337.26 g/mol
Exact Mass337.07
IUPAC Name3-[[5-(5-methylfuran-2-yl)-7-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]oxy]propanenitrile
SMILESCc1ccc(-c2cc(C(F)(F)F)c3nc(OCCC#N)oc3n2)o1
InChIInChI=1S/C15H10F3N3O3/c1-8-3-4-11(23-8)10-7-9(15(16,17)18)12-13(20-10)24-14(21-12)22-6-2-5-19/h3-4,7H,2,6H2,1H3
InChIKeyAGOQIKRPLHMLQN-UHFFFAOYSA-N
XLogP4.10
TPSA85.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(5-methylfuran-2-yl)-7-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]oxy]propanenitrile?
The IUPAC name of 3-[[5-(5-methylfuran-2-yl)-7-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]oxy]propanenitrile (CID 2985863) is 3-[[5-(5-methylfuran-2-yl)-7-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]oxy]propanenitrile.
What is the SMILES notation for 3-[[5-(5-methylfuran-2-yl)-7-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]oxy]propanenitrile?
The canonical SMILES for 3-[[5-(5-methylfuran-2-yl)-7-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]oxy]propanenitrile is Cc1ccc(-c2cc(C(F)(F)F)c3nc(OCCC#N)oc3n2)o1.
What is the InChIKey of 3-[[5-(5-methylfuran-2-yl)-7-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]oxy]propanenitrile?
The InChIKey is AGOQIKRPLHMLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O3/c1-8-3-4-11(23-8)10-7-9(15(16,17)18)12-13(20-10)24-14(21-12)22-6-2-5-19/h3-4,7H,2,6H2,1H3.
What are the key properties of 3-[[5-(5-methylfuran-2-yl)-7-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]oxy]propanenitrile?
3-[[5-(5-methylfuran-2-yl)-7-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]oxy]propanenitrile has a molecular weight of 337.26 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(5-methylfuran-2-yl)-7-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-yl]oxy]propanenitrile is sourced from PubChem (CID 2985863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).