3-(4-chlorophenyl)-5-[[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole

C20H21ClN4O2 — CID 42100655

IUPAC3-(4-chlorophenyl)-5-[[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESClc1ccc(-c2noc(CN3CCC[C@@H](OCc4cccnc4)C3)n2)cc1
InChIInChI=1S/C20H21ClN4O2/c21-17-7-5-16(6-8-17)20-23-19(27-24-20)13-25-10-2-4-18(12-25)26-14-15-3-1-9-22-11-15/h1,3,5-9,11,18H,2,4,10,12-14H2/t18-/m1/s1
InChIKeyHEHXEVBARKLWHF-GOSISDBHSA-N
MW384.87 g/mol
LogP3.97
Rot. Bonds6

About 3-(4-chlorophenyl)-5-[[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole

3-(4-chlorophenyl)-5-[[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 42100655) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-[[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-[[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID42100655
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Name3-(4-chlorophenyl)-5-[[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESClc1ccc(-c2noc(CN3CCC[C@@H](OCc4cccnc4)C3)n2)cc1
InChIInChI=1S/C20H21ClN4O2/c21-17-7-5-16(6-8-17)20-23-19(27-24-20)13-25-10-2-4-18(12-25)26-14-15-3-1-9-22-11-15/h1,3,5-9,11,18H,2,4,10,12-14H2/t18-/m1/s1
InChIKeyHEHXEVBARKLWHF-GOSISDBHSA-N
XLogP3.97
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(4-chlorophenyl)-5-[[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-(1,3-benzodioxol-5-yl)-5-[[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 42241704
3-pyridin-3-yl-5-[[1-(thiophen-3-ylmethyl)piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole
CID 71687054
3-[1-(4-methylphenyl)cyclopentyl]-5-[[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 42517827
2-[4-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]phenyl]pyridine
CID 56909379
2-[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]ethanamine
CID 120728336
3-pyridin-4-yl-5-[[1-(thiophen-3-ylmethyl)piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole
CID 71687044
5-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-2,1,3-benzoxadiazole
CID 56907304
3-(4-methoxyphenyl)-5-[[(3S)-3-propoxypiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 42383127
3-[[1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine
CID 77093463
2-(furan-2-yl)-5-[[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]pyrimidine
CID 95725231
[(3S)-1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 41305841
1-[(3R)-1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-3-phenylpropan-1-one
CID 25448073

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-[[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-chlorophenyl)-5-[[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole (CID 42100655) is 3-(4-chlorophenyl)-5-[[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-[[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-[[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole is Clc1ccc(-c2noc(CN3CCC[C@@H](OCc4cccnc4)C3)n2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-[[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is HEHXEVBARKLWHF-GOSISDBHSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c21-17-7-5-16(6-8-17)20-23-19(27-24-20)13-25-10-2-4-18(12-25)26-14-15-3-1-9-22-11-15/h1,3,5-9,11,18H,2,4,10,12-14H2/t18-/m1/s1.
What are the key properties of 3-(4-chlorophenyl)-5-[[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
3-(4-chlorophenyl)-5-[[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 384.87 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-[[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 42100655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).