3-[1-(2-fluoroethyl)pyrazol-4-yl]-5-[(1-methylpiperidin-4-yl)oxymethyl]-1,2,4-oxadiazole

C14H20FN5O2 — CID 167781613

IUPAC3-[1-(2-fluoroethyl)pyrazol-4-yl]-5-[(1-methylpiperidin-4-yl)oxymethyl]-1,2,4-oxadiazole
SMILESCN1CCC(OCc2nc(-c3cnn(CCF)c3)no2)CC1
InChIInChI=1S/C14H20FN5O2/c1-19-5-2-12(3-6-19)21-10-13-17-14(18-22-13)11-8-16-20(9-11)7-4-15/h8-9,12H,2-7,10H2,1H3
InChIKeySFJULTOJGMJZLZ-UHFFFAOYSA-N
MW309.35 g/mol
LogP1.51
Rot. Bonds6

About 3-[1-(2-fluoroethyl)pyrazol-4-yl]-5-[(1-methylpiperidin-4-yl)oxymethyl]-1,2,4-oxadiazole

3-[1-(2-fluoroethyl)pyrazol-4-yl]-5-[(1-methylpiperidin-4-yl)oxymethyl]-1,2,4-oxadiazole (PubChem CID 167781613) has the molecular formula C14H20FN5O2 and a molecular weight of 309.35 g/mol. Its IUPAC name is 3-[1-(2-fluoroethyl)pyrazol-4-yl]-5-[(1-methylpiperidin-4-yl)oxymethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[1-(2-fluoroethyl)pyrazol-4-yl]-5-[(1-methylpiperidin-4-yl)oxymethyl]-1,2,4-oxadiazole
PubChem CID167781613
Molecular FormulaC14H20FN5O2
Molecular Weight309.35 g/mol
Exact Mass309.16
IUPAC Name3-[1-(2-fluoroethyl)pyrazol-4-yl]-5-[(1-methylpiperidin-4-yl)oxymethyl]-1,2,4-oxadiazole
SMILESCN1CCC(OCc2nc(-c3cnn(CCF)c3)no2)CC1
InChIInChI=1S/C14H20FN5O2/c1-19-5-2-12(3-6-19)21-10-13-17-14(18-22-13)11-8-16-20(9-11)7-4-15/h8-9,12H,2-7,10H2,1H3
InChIKeySFJULTOJGMJZLZ-UHFFFAOYSA-N
XLogP1.51
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-fluoroethyl)pyrazol-4-yl]-5-[(1-methylpiperidin-4-yl)oxymethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[1-(2-fluoroethyl)pyrazol-4-yl]-5-[(1-methylpiperidin-4-yl)oxymethyl]-1,2,4-oxadiazole (CID 167781613) is 3-[1-(2-fluoroethyl)pyrazol-4-yl]-5-[(1-methylpiperidin-4-yl)oxymethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[1-(2-fluoroethyl)pyrazol-4-yl]-5-[(1-methylpiperidin-4-yl)oxymethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[1-(2-fluoroethyl)pyrazol-4-yl]-5-[(1-methylpiperidin-4-yl)oxymethyl]-1,2,4-oxadiazole is CN1CCC(OCc2nc(-c3cnn(CCF)c3)no2)CC1.
What is the InChIKey of 3-[1-(2-fluoroethyl)pyrazol-4-yl]-5-[(1-methylpiperidin-4-yl)oxymethyl]-1,2,4-oxadiazole?
The InChIKey is SFJULTOJGMJZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN5O2/c1-19-5-2-12(3-6-19)21-10-13-17-14(18-22-13)11-8-16-20(9-11)7-4-15/h8-9,12H,2-7,10H2,1H3.
What are the key properties of 3-[1-(2-fluoroethyl)pyrazol-4-yl]-5-[(1-methylpiperidin-4-yl)oxymethyl]-1,2,4-oxadiazole?
3-[1-(2-fluoroethyl)pyrazol-4-yl]-5-[(1-methylpiperidin-4-yl)oxymethyl]-1,2,4-oxadiazole has a molecular weight of 309.35 g/mol, XLogP of 1.51, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-fluoroethyl)pyrazol-4-yl]-5-[(1-methylpiperidin-4-yl)oxymethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 167781613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).