3-(4-chlorophenyl)-5-[(3R)-1-methylpiperidin-3-yl]-1,2,4-oxadiazole

C14H16ClN3O — CID 95276072

IUPAC3-(4-chlorophenyl)-5-[(3R)-1-methylpiperidin-3-yl]-1,2,4-oxadiazole
SMILESCN1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1
InChIInChI=1S/C14H16ClN3O/c1-18-8-2-3-11(9-18)14-16-13(17-19-14)10-4-6-12(15)7-5-10/h4-7,11H,2-3,8-9H2,1H3/t11-/m1/s1
InChIKeyHWVCAOZOASXLNT-LLVKDONJSA-N
MW277.75 g/mol
LogP3.20
Rot. Bonds2

About 3-(4-chlorophenyl)-5-[(3R)-1-methylpiperidin-3-yl]-1,2,4-oxadiazole

3-(4-chlorophenyl)-5-[(3R)-1-methylpiperidin-3-yl]-1,2,4-oxadiazole (PubChem CID 95276072) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-[(3R)-1-methylpiperidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-[(3R)-1-methylpiperidin-3-yl]-1,2,4-oxadiazole
PubChem CID95276072
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name3-(4-chlorophenyl)-5-[(3R)-1-methylpiperidin-3-yl]-1,2,4-oxadiazole
SMILESCN1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1
InChIInChI=1S/C14H16ClN3O/c1-18-8-2-3-11(9-18)14-16-13(17-19-14)10-4-6-12(15)7-5-10/h4-7,11H,2-3,8-9H2,1H3/t11-/m1/s1
InChIKeyHWVCAOZOASXLNT-LLVKDONJSA-N
XLogP3.20
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[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
3-(4-chlorophenyl)-5-[1-(piperidin-4-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole
CID 119931294
3-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propanoic acid
CID 119921434
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
3-(4-chlorophenyl)-5-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]-1,2,4-oxadiazole
CID 133482760
(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
1-[(3R)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methoxyethanone
CID 812534
5-[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 1456687
5-[(3R)-1-(benzenesulfonyl)piperidin-3-yl]-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 1456856

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-[(3R)-1-methylpiperidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-chlorophenyl)-5-[(3R)-1-methylpiperidin-3-yl]-1,2,4-oxadiazole (CID 95276072) is 3-(4-chlorophenyl)-5-[(3R)-1-methylpiperidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-[(3R)-1-methylpiperidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-[(3R)-1-methylpiperidin-3-yl]-1,2,4-oxadiazole is CN1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1.
What is the InChIKey of 3-(4-chlorophenyl)-5-[(3R)-1-methylpiperidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is HWVCAOZOASXLNT-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-18-8-2-3-11(9-18)14-16-13(17-19-14)10-4-6-12(15)7-5-10/h4-7,11H,2-3,8-9H2,1H3/t11-/m1/s1.
What are the key properties of 3-(4-chlorophenyl)-5-[(3R)-1-methylpiperidin-3-yl]-1,2,4-oxadiazole?
3-(4-chlorophenyl)-5-[(3R)-1-methylpiperidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 277.75 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-[(3R)-1-methylpiperidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 95276072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).