5-[[(2R)-2-(3-fluorophenyl)piperidin-1-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole

C18H18FN5O — CID 26332806

IUPAC5-[[(2R)-2-(3-fluorophenyl)piperidin-1-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole
SMILESFc1cccc([C@H]2CCCCN2Cc2nc(-c3cnccn3)no2)c1
InChIInChI=1S/C18H18FN5O/c19-14-5-3-4-13(10-14)16-6-1-2-9-24(16)12-17-22-18(23-25-17)15-11-20-7-8-21-15/h3-5,7-8,10-11,16H,1-2,6,9,12H2/t16-/m1/s1
InChIKeyBJSMGIGFSYNRAW-MRXNPFEDSA-N
MW339.37 g/mol
LogP3.39
Rot. Bonds4

About 5-[[(2R)-2-(3-fluorophenyl)piperidin-1-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole

5-[[(2R)-2-(3-fluorophenyl)piperidin-1-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole (PubChem CID 26332806) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is 5-[[(2R)-2-(3-fluorophenyl)piperidin-1-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[(2R)-2-(3-fluorophenyl)piperidin-1-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole
PubChem CID26332806
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC Name5-[[(2R)-2-(3-fluorophenyl)piperidin-1-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole
SMILESFc1cccc([C@H]2CCCCN2Cc2nc(-c3cnccn3)no2)c1
InChIInChI=1S/C18H18FN5O/c19-14-5-3-4-13(10-14)16-6-1-2-9-24(16)12-17-22-18(23-25-17)15-11-20-7-8-21-15/h3-5,7-8,10-11,16H,1-2,6,9,12H2/t16-/m1/s1
InChIKeyBJSMGIGFSYNRAW-MRXNPFEDSA-N
XLogP3.39
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2S)-1-benzylpyrrolidin-2-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 97071015
2-[[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 124754983
2-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
CID 56914593
3-[[(2S)-2-(3-fluorophenyl)azepan-1-yl]methyl]pyridin-2-amine
CID 99928446
ethyl 2-[(2R)-1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]acetate
CID 42565131
3-pyrazin-2-yl-5-[(4-pyridin-4-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 42521587
(2R)-1-[(2-ethylpyrimidin-4-yl)methyl]-2-(3-fluorophenyl)azepane
CID 99930686
(2R)-2-(3-fluorophenyl)-1-(furan-2-ylmethyl)piperidine
CID 95885782
5-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 41137505
3-(phenoxymethyl)-5-[(2-pyridin-3-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 45197802
5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole;hydrochloride
CID 120757172
3-(3-chlorophenyl)-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 120756741

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-2-(3-fluorophenyl)piperidin-1-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[[(2R)-2-(3-fluorophenyl)piperidin-1-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole (CID 26332806) is 5-[[(2R)-2-(3-fluorophenyl)piperidin-1-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[(2R)-2-(3-fluorophenyl)piperidin-1-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[(2R)-2-(3-fluorophenyl)piperidin-1-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole is Fc1cccc([C@H]2CCCCN2Cc2nc(-c3cnccn3)no2)c1.
What is the InChIKey of 5-[[(2R)-2-(3-fluorophenyl)piperidin-1-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole?
The InChIKey is BJSMGIGFSYNRAW-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H18FN5O/c19-14-5-3-4-13(10-14)16-6-1-2-9-24(16)12-17-22-18(23-25-17)15-11-20-7-8-21-15/h3-5,7-8,10-11,16H,1-2,6,9,12H2/t16-/m1/s1.
What are the key properties of 5-[[(2R)-2-(3-fluorophenyl)piperidin-1-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole?
5-[[(2R)-2-(3-fluorophenyl)piperidin-1-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole has a molecular weight of 339.37 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-2-(3-fluorophenyl)piperidin-1-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 26332806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).