3-[3-(4-fluorophenyl)oxolan-3-yl]-5-(3-methylimidazo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazole

C19H16FN5O2 — CID 56710939

IUPAC3-[3-(4-fluorophenyl)oxolan-3-yl]-5-(3-methylimidazo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazole
SMILESCn1cnc2cc(-c3nc(C4(c5ccc(F)cc5)CCOC4)no3)cnc21
InChIInChI=1S/C19H16FN5O2/c1-25-11-22-15-8-12(9-21-16(15)25)17-23-18(24-27-17)19(6-7-26-10-19)13-2-4-14(20)5-3-13/h2-5,8-9,11H,6-7,10H2,1H3
InChIKeyWLYMMTGPKQOQPM-UHFFFAOYSA-N
MW365.37 g/mol
LogP2.86
Rot. Bonds3

About 3-[3-(4-fluorophenyl)oxolan-3-yl]-5-(3-methylimidazo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazole

3-[3-(4-fluorophenyl)oxolan-3-yl]-5-(3-methylimidazo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazole (PubChem CID 56710939) has the molecular formula C19H16FN5O2 and a molecular weight of 365.37 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)oxolan-3-yl]-5-(3-methylimidazo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)oxolan-3-yl]-5-(3-methylimidazo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazole
PubChem CID56710939
Molecular FormulaC19H16FN5O2
Molecular Weight365.37 g/mol
Exact Mass365.13
IUPAC Name3-[3-(4-fluorophenyl)oxolan-3-yl]-5-(3-methylimidazo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazole
SMILESCn1cnc2cc(-c3nc(C4(c5ccc(F)cc5)CCOC4)no3)cnc21
InChIInChI=1S/C19H16FN5O2/c1-25-11-22-15-8-12(9-21-16(15)25)17-23-18(24-27-17)19(6-7-26-10-19)13-2-4-14(20)5-3-13/h2-5,8-9,11H,6-7,10H2,1H3
InChIKeyWLYMMTGPKQOQPM-UHFFFAOYSA-N
XLogP2.86
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)oxolan-3-yl]-5-(3-methylimidazo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-[3-(4-fluorophenyl)oxolan-3-yl]-5-(3-methylimidazo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazole (CID 56710939) is 3-[3-(4-fluorophenyl)oxolan-3-yl]-5-(3-methylimidazo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[3-(4-fluorophenyl)oxolan-3-yl]-5-(3-methylimidazo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[3-(4-fluorophenyl)oxolan-3-yl]-5-(3-methylimidazo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazole is Cn1cnc2cc(-c3nc(C4(c5ccc(F)cc5)CCOC4)no3)cnc21.
What is the InChIKey of 3-[3-(4-fluorophenyl)oxolan-3-yl]-5-(3-methylimidazo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazole?
The InChIKey is WLYMMTGPKQOQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O2/c1-25-11-22-15-8-12(9-21-16(15)25)17-23-18(24-27-17)19(6-7-26-10-19)13-2-4-14(20)5-3-13/h2-5,8-9,11H,6-7,10H2,1H3.
What are the key properties of 3-[3-(4-fluorophenyl)oxolan-3-yl]-5-(3-methylimidazo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazole?
3-[3-(4-fluorophenyl)oxolan-3-yl]-5-(3-methylimidazo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazole has a molecular weight of 365.37 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)oxolan-3-yl]-5-(3-methylimidazo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 56710939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).