1-[3-[6-(4-fluorophenoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]cyclobutane-1-carbonitrile

C18H13FN4O2 — CID 71863986

IUPAC1-[3-[6-(4-fluorophenoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]cyclobutane-1-carbonitrile
SMILESN#CC1(c2nc(-c3ccc(Oc4ccc(F)cc4)nc3)no2)CCC1
InChIInChI=1S/C18H13FN4O2/c19-13-3-5-14(6-4-13)24-15-7-2-12(10-21-15)16-22-17(25-23-16)18(11-20)8-1-9-18/h2-7,10H,1,8-9H2
InChIKeyAWLCIGKTOPQFON-UHFFFAOYSA-N
MW336.33 g/mol
LogP4.01
Rot. Bonds4

About 1-[3-[6-(4-fluorophenoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]cyclobutane-1-carbonitrile

1-[3-[6-(4-fluorophenoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]cyclobutane-1-carbonitrile (PubChem CID 71863986) has the molecular formula C18H13FN4O2 and a molecular weight of 336.33 g/mol. Its IUPAC name is 1-[3-[6-(4-fluorophenoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[3-[6-(4-fluorophenoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]cyclobutane-1-carbonitrile
PubChem CID71863986
Molecular FormulaC18H13FN4O2
Molecular Weight336.33 g/mol
Exact Mass336.10
IUPAC Name1-[3-[6-(4-fluorophenoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]cyclobutane-1-carbonitrile
SMILESN#CC1(c2nc(-c3ccc(Oc4ccc(F)cc4)nc3)no2)CCC1
InChIInChI=1S/C18H13FN4O2/c19-13-3-5-14(6-4-13)24-15-7-2-12(10-21-15)16-22-17(25-23-16)18(11-20)8-1-9-18/h2-7,10H,1,8-9H2
InChIKeyAWLCIGKTOPQFON-UHFFFAOYSA-N
XLogP4.01
TPSA84.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.33
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[6-(4-fluorophenoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[3-[6-(4-fluorophenoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]cyclobutane-1-carbonitrile (CID 71863986) is 1-[3-[6-(4-fluorophenoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[3-[6-(4-fluorophenoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[3-[6-(4-fluorophenoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]cyclobutane-1-carbonitrile is N#CC1(c2nc(-c3ccc(Oc4ccc(F)cc4)nc3)no2)CCC1.
What is the InChIKey of 1-[3-[6-(4-fluorophenoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]cyclobutane-1-carbonitrile?
The InChIKey is AWLCIGKTOPQFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O2/c19-13-3-5-14(6-4-13)24-15-7-2-12(10-21-15)16-22-17(25-23-16)18(11-20)8-1-9-18/h2-7,10H,1,8-9H2.
What are the key properties of 1-[3-[6-(4-fluorophenoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]cyclobutane-1-carbonitrile?
1-[3-[6-(4-fluorophenoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]cyclobutane-1-carbonitrile has a molecular weight of 336.33 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[6-(4-fluorophenoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 71863986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).