3-(4-chlorophenyl)-5-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]-1,2,4-oxadiazole

C19H19ClN4O — CID 133482760

IUPAC3-(4-chlorophenyl)-5-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]-1,2,4-oxadiazole
SMILESCc1cccc(N2CCCC(c3nc(-c4ccc(Cl)cc4)no3)C2)n1
InChIInChI=1S/C19H19ClN4O/c1-13-4-2-6-17(21-13)24-11-3-5-15(12-24)19-22-18(23-25-19)14-7-9-16(20)10-8-14/h2,4,6-10,15H,3,5,11-12H2,1H3
InChIKeyFVTROCFTKHZLOC-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.48
Rot. Bonds3

About 3-(4-chlorophenyl)-5-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]-1,2,4-oxadiazole

3-(4-chlorophenyl)-5-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]-1,2,4-oxadiazole (PubChem CID 133482760) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]-1,2,4-oxadiazole
PubChem CID133482760
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC Name3-(4-chlorophenyl)-5-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]-1,2,4-oxadiazole
SMILESCc1cccc(N2CCCC(c3nc(-c4ccc(Cl)cc4)no3)C2)n1
InChIInChI=1S/C19H19ClN4O/c1-13-4-2-6-17(21-13)24-11-3-5-15(12-24)19-22-18(23-25-19)14-7-9-16(20)10-8-14/h2,4,6-10,15H,3,5,11-12H2,1H3
InChIKeyFVTROCFTKHZLOC-UHFFFAOYSA-N
XLogP4.48
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyrimidin-2-amine
CID 133285071
3-(4-chlorophenyl)-5-[(3R)-1-methylpiperidin-3-yl]-1,2,4-oxadiazole
CID 95276072
[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2,6-difluorophenyl)methanone
CID 3226157
3-(4-chlorophenyl)-5-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole
CID 133285082
[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclopropylmethanone
CID 3294167
1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 3953724
5-[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 1456687
2-amino-1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 119314824
1-[(3S)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-methylbutan-1-one
CID 812533
5-[(3R)-1-(benzenesulfonyl)piperidin-3-yl]-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 1456856
(2R)-2-amino-1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one
CID 119314838
(2S)-2-[(3S)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propanamide
CID 95154548

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-chlorophenyl)-5-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]-1,2,4-oxadiazole (CID 133482760) is 3-(4-chlorophenyl)-5-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]-1,2,4-oxadiazole is Cc1cccc(N2CCCC(c3nc(-c4ccc(Cl)cc4)no3)C2)n1.
What is the InChIKey of 3-(4-chlorophenyl)-5-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is FVTROCFTKHZLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c1-13-4-2-6-17(21-13)24-11-3-5-15(12-24)19-22-18(23-25-19)14-7-9-16(20)10-8-14/h2,4,6-10,15H,3,5,11-12H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-5-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]-1,2,4-oxadiazole?
3-(4-chlorophenyl)-5-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 354.84 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 133482760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).