3-(5-fluoro-2-pyridinyl)-5-[[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole

C23H27FN4O2 — CID 139015601

IUPAC3-(5-fluoro-2-pyridinyl)-5-[[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole
SMILESCC(C)Oc1ccccc1CN1CCC(Cc2nc(-c3ccc(F)cn3)no2)CC1
InChIInChI=1S/C23H27FN4O2/c1-16(2)29-21-6-4-3-5-18(21)15-28-11-9-17(10-12-28)13-22-26-23(27-30-22)20-8-7-19(24)14-25-20/h3-8,14,16-17H,9-13,15H2,1-2H3
InChIKeyYSGBWKCKZKQVIK-UHFFFAOYSA-N
MW410.49 g/mol
LogP4.51
Rot. Bonds7

About 3-(5-fluoro-2-pyridinyl)-5-[[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole

3-(5-fluoro-2-pyridinyl)-5-[[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole (PubChem CID 139015601) has the molecular formula C23H27FN4O2 and a molecular weight of 410.49 g/mol. Its IUPAC name is 3-(5-fluoro-2-pyridinyl)-5-[[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-fluoro-2-pyridinyl)-5-[[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole
PubChem CID139015601
Molecular FormulaC23H27FN4O2
Molecular Weight410.49 g/mol
Exact Mass410.21
IUPAC Name3-(5-fluoro-2-pyridinyl)-5-[[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole
SMILESCC(C)Oc1ccccc1CN1CCC(Cc2nc(-c3ccc(F)cn3)no2)CC1
InChIInChI=1S/C23H27FN4O2/c1-16(2)29-21-6-4-3-5-18(21)15-28-11-9-17(10-12-28)13-22-26-23(27-30-22)20-8-7-19(24)14-25-20/h3-8,14,16-17H,9-13,15H2,1-2H3
InChIKeyYSGBWKCKZKQVIK-UHFFFAOYSA-N
XLogP4.51
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(5-fluoro-2-pyridinyl)-5-[[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole with MolForge

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Launch Full Analysis

Related Compounds

3-(5-fluoro-2-pyridinyl)-5-[(1-pent-3-ynylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
CID 136563598
3-(5-fluoro-2-pyridinyl)-5-[1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 75614930
1-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]ethanol
CID 111113750
5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 42557787
(2,6-dimethylmorpholin-4-yl)-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methanone
CID 55916474
2-[2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 107273782
3-(5-fluoro-2-pyridinyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 79719984
2-(4-fluorophenyl)-1-[4-[[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]propan-2-ol
CID 139015602
3-methyl-5-[(1S)-1-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95277612
5-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]-3-(1,2-thiazol-3-yl)-1,2,4-oxadiazole
CID 146106179
1-[1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]ethanamine
CID 119920805
3-(2-ethoxyphenyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 75539076

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-pyridinyl)-5-[[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(5-fluoro-2-pyridinyl)-5-[[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole (CID 139015601) is 3-(5-fluoro-2-pyridinyl)-5-[[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-fluoro-2-pyridinyl)-5-[[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-fluoro-2-pyridinyl)-5-[[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole is CC(C)Oc1ccccc1CN1CCC(Cc2nc(-c3ccc(F)cn3)no2)CC1.
What is the InChIKey of 3-(5-fluoro-2-pyridinyl)-5-[[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is YSGBWKCKZKQVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O2/c1-16(2)29-21-6-4-3-5-18(21)15-28-11-9-17(10-12-28)13-22-26-23(27-30-22)20-8-7-19(24)14-25-20/h3-8,14,16-17H,9-13,15H2,1-2H3.
What are the key properties of 3-(5-fluoro-2-pyridinyl)-5-[[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole?
3-(5-fluoro-2-pyridinyl)-5-[[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 410.49 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-pyridinyl)-5-[[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 139015601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).