3-(5-fluoro-2-pyridinyl)-5-[(2S)-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole

C17H22FN5O — CID 51136932

IUPAC3-(5-fluoro-2-pyridinyl)-5-[(2S)-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESCN1CCC(N2CCC[C@H]2c2nc(-c3ccc(F)cn3)no2)CC1
InChIInChI=1S/C17H22FN5O/c1-22-9-6-13(7-10-22)23-8-2-3-15(23)17-20-16(21-24-17)14-5-4-12(18)11-19-14/h4-5,11,13,15H,2-3,6-10H2,1H3/t15-/m0/s1
InChIKeyDUQSTNKMZBAMQC-HNNXBMFYSA-N
MW331.39 g/mol
LogP2.50
Rot. Bonds3

About 3-(5-fluoro-2-pyridinyl)-5-[(2S)-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole

3-(5-fluoro-2-pyridinyl)-5-[(2S)-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole (PubChem CID 51136932) has the molecular formula C17H22FN5O and a molecular weight of 331.39 g/mol. Its IUPAC name is 3-(5-fluoro-2-pyridinyl)-5-[(2S)-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-fluoro-2-pyridinyl)-5-[(2S)-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole
PubChem CID51136932
Molecular FormulaC17H22FN5O
Molecular Weight331.39 g/mol
Exact Mass331.18
IUPAC Name3-(5-fluoro-2-pyridinyl)-5-[(2S)-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESCN1CCC(N2CCC[C@H]2c2nc(-c3ccc(F)cn3)no2)CC1
InChIInChI=1S/C17H22FN5O/c1-22-9-6-13(7-10-22)23-8-2-3-15(23)17-20-16(21-24-17)14-5-4-12(18)11-19-14/h4-5,11,13,15H,2-3,6-10H2,1H3/t15-/m0/s1
InChIKeyDUQSTNKMZBAMQC-HNNXBMFYSA-N
XLogP2.50
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(5-fluoro-2-pyridinyl)-5-[(2S)-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole with MolForge

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Related Compounds

5-(1-benzylpyrrolidin-2-yl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole
CID 75614917
5-[5-[1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine
CID 75131431
3-(5-fluoro-2-pyridinyl)-5-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 51136934
3-(5-fluoro-2-pyridinyl)-5-[1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 75614930
2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 79719199
5-[5-[(2R)-1-cyclobutylpyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine
CID 162799203
3-(5-fluoro-2-pyridinyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915048
1-[4-[(2S)-2-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 51136846
5-(1-cyclopropylpyrrolidin-2-yl)-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole
CID 166210121
5-[5-(1-cyclohexylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine
CID 75131458
3-(5-fluoro-2-pyridinyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911952
3-(5-fluoro-2-pyridinyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 79719777

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-pyridinyl)-5-[(2S)-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(5-fluoro-2-pyridinyl)-5-[(2S)-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole (CID 51136932) is 3-(5-fluoro-2-pyridinyl)-5-[(2S)-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-fluoro-2-pyridinyl)-5-[(2S)-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-fluoro-2-pyridinyl)-5-[(2S)-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole is CN1CCC(N2CCC[C@H]2c2nc(-c3ccc(F)cn3)no2)CC1.
What is the InChIKey of 3-(5-fluoro-2-pyridinyl)-5-[(2S)-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole?
The InChIKey is DUQSTNKMZBAMQC-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22FN5O/c1-22-9-6-13(7-10-22)23-8-2-3-15(23)17-20-16(21-24-17)14-5-4-12(18)11-19-14/h4-5,11,13,15H,2-3,6-10H2,1H3/t15-/m0/s1.
What are the key properties of 3-(5-fluoro-2-pyridinyl)-5-[(2S)-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole?
3-(5-fluoro-2-pyridinyl)-5-[(2S)-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 331.39 g/mol, XLogP of 2.50, 3 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-[(2S)-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 51136932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).