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

C20H22N4O2 — CID 45197802

IUPAC3-(phenoxymethyl)-5-[(2-pyridin-3-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
SMILESc1ccc(OCc2noc(CN3CCCCC3c3cccnc3)n2)cc1
InChIInChI=1S/C20H22N4O2/c1-2-8-17(9-3-1)25-15-19-22-20(26-23-19)14-24-12-5-4-10-18(24)16-7-6-11-21-13-16/h1-3,6-9,11,13,18H,4-5,10,12,14-15H2
InChIKeyOJVPTQXPNVUXPV-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.77
Rot. Bonds6

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

3-(phenoxymethyl)-5-[(2-pyridin-3-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 45197802) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-(phenoxymethyl)-5-[(2-pyridin-3-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(phenoxymethyl)-5-[(2-pyridin-3-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID45197802
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name3-(phenoxymethyl)-5-[(2-pyridin-3-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
SMILESc1ccc(OCc2noc(CN3CCCCC3c3cccnc3)n2)cc1
InChIInChI=1S/C20H22N4O2/c1-2-8-17(9-3-1)25-15-19-22-20(26-23-19)14-24-12-5-4-10-18(24)16-7-6-11-21-13-16/h1-3,6-9,11,13,18H,4-5,10,12,14-15H2
InChIKeyOJVPTQXPNVUXPV-UHFFFAOYSA-N
XLogP3.77
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 42509063
5-[[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole
CID 42929567
2-phenyl-5-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 40503258
5-[[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazole
CID 78842488
3-phenyl-5-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,2-oxazole
CID 99959800
3-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 872941
3-benzyl-5-[[(2S)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 51951815
3-[(4-fluorophenoxy)methyl]-5-[[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 97238225
5-[[(2S)-2-benzylpyrrolidin-1-yl]methyl]-3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole
CID 25486784
3-[(2S)-1-[(2-prop-2-enoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 2254096
5-[[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 45175492
3-[(2R)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 1353857

Frequently Asked Questions

What is the IUPAC name of 3-(phenoxymethyl)-5-[(2-pyridin-3-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(phenoxymethyl)-5-[(2-pyridin-3-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole (CID 45197802) is 3-(phenoxymethyl)-5-[(2-pyridin-3-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(phenoxymethyl)-5-[(2-pyridin-3-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(phenoxymethyl)-5-[(2-pyridin-3-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole is c1ccc(OCc2noc(CN3CCCCC3c3cccnc3)n2)cc1.
What is the InChIKey of 3-(phenoxymethyl)-5-[(2-pyridin-3-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is OJVPTQXPNVUXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-2-8-17(9-3-1)25-15-19-22-20(26-23-19)14-24-12-5-4-10-18(24)16-7-6-11-21-13-16/h1-3,6-9,11,13,18H,4-5,10,12,14-15H2.
What are the key properties of 3-(phenoxymethyl)-5-[(2-pyridin-3-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole?
3-(phenoxymethyl)-5-[(2-pyridin-3-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 350.42 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenoxymethyl)-5-[(2-pyridin-3-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 45197802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).