2-phenyl-5-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,3,4-oxadiazole

C19H20N4O — CID 40503258

IUPAC2-phenyl-5-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(CN3CCCC[C@H]3c3cccnc3)o2)cc1
InChIInChI=1S/C19H20N4O/c1-2-7-15(8-3-1)19-22-21-18(24-19)14-23-12-5-4-10-17(23)16-9-6-11-20-13-16/h1-3,6-9,11,13,17H,4-5,10,12,14H2/t17-/m0/s1
InChIKeyPUMMSKUXKAZGPS-KRWDZBQOSA-N
MW320.40 g/mol
LogP3.86
Rot. Bonds4

About 2-phenyl-5-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,3,4-oxadiazole

2-phenyl-5-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 40503258) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-phenyl-5-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID40503258
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name2-phenyl-5-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(CN3CCCC[C@H]3c3cccnc3)o2)cc1
InChIInChI=1S/C19H20N4O/c1-2-7-15(8-3-1)19-22-21-18(24-19)14-23-12-5-4-10-17(23)16-9-6-11-20-13-16/h1-3,6-9,11,13,17H,4-5,10,12,14H2/t17-/m0/s1
InChIKeyPUMMSKUXKAZGPS-KRWDZBQOSA-N
XLogP3.86
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(2R)-2-(furan-2-yl)azepan-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 124754849
3-phenyl-5-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,2-oxazole
CID 99959800
3-(phenoxymethyl)-5-[(2-pyridin-3-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 45197802
2-phenyl-5-[[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95978943
1-phenothiazin-10-yl-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethanone
CID 26414987
3-[(2R)-1-[(2,3-dichlorophenyl)methyl]piperidin-2-yl]pyridine
CID 40501419
2-phenyl-5-[(4-phenylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 46643022
3-[(2S)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyridine
CID 872932
3-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 872941
3-[(2S)-1-(1,3-benzodioxol-5-ylmethyl)piperidin-2-yl]pyridine
CID 838789
5-methyl-2-(5-methylfuran-2-yl)-4-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,3-oxazole
CID 95191595
3-[1-(2-phenylethyl)pyrrolidin-2-yl]pyridine
CID 91294184

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,3,4-oxadiazole (CID 40503258) is 2-phenyl-5-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,3,4-oxadiazole is c1ccc(-c2nnc(CN3CCCC[C@H]3c3cccnc3)o2)cc1.
What is the InChIKey of 2-phenyl-5-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is PUMMSKUXKAZGPS-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H20N4O/c1-2-7-15(8-3-1)19-22-21-18(24-19)14-23-12-5-4-10-17(23)16-9-6-11-20-13-16/h1-3,6-9,11,13,17H,4-5,10,12,14H2/t17-/m0/s1.
What are the key properties of 2-phenyl-5-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,3,4-oxadiazole?
2-phenyl-5-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 320.40 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 40503258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).