3-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-5-propan-2-yl-1,2,4-oxadiazole

C19H22FN5O — CID 56749676

IUPAC3-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-5-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1nc(N2CCC(c3[nH]ncc3-c3cccc(F)c3)CC2)no1
InChIInChI=1S/C19H22FN5O/c1-12(2)18-22-19(24-26-18)25-8-6-13(7-9-25)17-16(11-21-23-17)14-4-3-5-15(20)10-14/h3-5,10-13H,6-9H2,1-2H3,(H,21,23)
InChIKeyLFHGNOKMFWHBEY-UHFFFAOYSA-N
MW355.42 g/mol
LogP4.11
Rot. Bonds4

About 3-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-5-propan-2-yl-1,2,4-oxadiazole

3-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-5-propan-2-yl-1,2,4-oxadiazole (PubChem CID 56749676) has the molecular formula C19H22FN5O and a molecular weight of 355.42 g/mol. Its IUPAC name is 3-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-5-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-5-propan-2-yl-1,2,4-oxadiazole
PubChem CID56749676
Molecular FormulaC19H22FN5O
Molecular Weight355.42 g/mol
Exact Mass355.18
IUPAC Name3-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-5-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1nc(N2CCC(c3[nH]ncc3-c3cccc(F)c3)CC2)no1
InChIInChI=1S/C19H22FN5O/c1-12(2)18-22-19(24-26-18)25-8-6-13(7-9-25)17-16(11-21-23-17)14-4-3-5-15(20)10-14/h3-5,10-13H,6-9H2,1-2H3,(H,21,23)
InChIKeyLFHGNOKMFWHBEY-UHFFFAOYSA-N
XLogP4.11
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-5-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-5-propan-2-yl-1,2,4-oxadiazole (CID 56749676) is 3-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-5-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-5-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-5-propan-2-yl-1,2,4-oxadiazole is CC(C)c1nc(N2CCC(c3[nH]ncc3-c3cccc(F)c3)CC2)no1.
What is the InChIKey of 3-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-5-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is LFHGNOKMFWHBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O/c1-12(2)18-22-19(24-26-18)25-8-6-13(7-9-25)17-16(11-21-23-17)14-4-3-5-15(20)10-14/h3-5,10-13H,6-9H2,1-2H3,(H,21,23).
What are the key properties of 3-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-5-propan-2-yl-1,2,4-oxadiazole?
3-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-5-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 355.42 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-5-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 56749676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).