3-(3,5-dichlorophenyl)-N-methyl-N-piperidin-4-yl-1,2,4-oxadiazol-5-amine

C14H16Cl2N4O — CID 154864882

IUPAC3-(3,5-dichlorophenyl)-N-methyl-N-piperidin-4-yl-1,2,4-oxadiazol-5-amine
SMILESCN(c1nc(-c2cc(Cl)cc(Cl)c2)no1)C1CCNCC1
InChIInChI=1S/C14H16Cl2N4O/c1-20(12-2-4-17-5-3-12)14-18-13(19-21-14)9-6-10(15)8-11(16)7-9/h6-8,12,17H,2-5H2,1H3
InChIKeyXKSCGPVEGSDYNI-UHFFFAOYSA-N
MW327.22 g/mol
LogP3.23
Rot. Bonds3

About 3-(3,5-dichlorophenyl)-N-methyl-N-piperidin-4-yl-1,2,4-oxadiazol-5-amine

3-(3,5-dichlorophenyl)-N-methyl-N-piperidin-4-yl-1,2,4-oxadiazol-5-amine (PubChem CID 154864882) has the molecular formula C14H16Cl2N4O and a molecular weight of 327.22 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-N-methyl-N-piperidin-4-yl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-N-methyl-N-piperidin-4-yl-1,2,4-oxadiazol-5-amine
PubChem CID154864882
Molecular FormulaC14H16Cl2N4O
Molecular Weight327.22 g/mol
Exact Mass326.07
IUPAC Name3-(3,5-dichlorophenyl)-N-methyl-N-piperidin-4-yl-1,2,4-oxadiazol-5-amine
SMILESCN(c1nc(-c2cc(Cl)cc(Cl)c2)no1)C1CCNCC1
InChIInChI=1S/C14H16Cl2N4O/c1-20(12-2-4-17-5-3-12)14-18-13(19-21-14)9-6-10(15)8-11(16)7-9/h6-8,12,17H,2-5H2,1H3
InChIKeyXKSCGPVEGSDYNI-UHFFFAOYSA-N
XLogP3.23
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,5-dichlorophenyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 104880665
3-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-methylamino]propanenitrile
CID 133381650
1-cyclopropyl-2-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 107918247
3-(3,5-dichlorophenyl)-N-methyl-N-(2-methylsulfonylethyl)-1,2,4-oxadiazol-5-amine
CID 167780415
N-(4-chlorophenyl)-N-methylpiperidin-4-amine
CID 67274913
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119913209
N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-amine
CID 43607543
1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 102548765
N-butan-2-yl-N-(3,5-dichlorophenyl)piperidin-4-amine
CID 69343846
N-methyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
CID 43607304
2-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-ethylamino]-N-propan-2-ylacetamide
CID 133382176
2-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 104880695

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-N-methyl-N-piperidin-4-yl-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(3,5-dichlorophenyl)-N-methyl-N-piperidin-4-yl-1,2,4-oxadiazol-5-amine (CID 154864882) is 3-(3,5-dichlorophenyl)-N-methyl-N-piperidin-4-yl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-N-methyl-N-piperidin-4-yl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(3,5-dichlorophenyl)-N-methyl-N-piperidin-4-yl-1,2,4-oxadiazol-5-amine is CN(c1nc(-c2cc(Cl)cc(Cl)c2)no1)C1CCNCC1.
What is the InChIKey of 3-(3,5-dichlorophenyl)-N-methyl-N-piperidin-4-yl-1,2,4-oxadiazol-5-amine?
The InChIKey is XKSCGPVEGSDYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N4O/c1-20(12-2-4-17-5-3-12)14-18-13(19-21-14)9-6-10(15)8-11(16)7-9/h6-8,12,17H,2-5H2,1H3.
What are the key properties of 3-(3,5-dichlorophenyl)-N-methyl-N-piperidin-4-yl-1,2,4-oxadiazol-5-amine?
3-(3,5-dichlorophenyl)-N-methyl-N-piperidin-4-yl-1,2,4-oxadiazol-5-amine has a molecular weight of 327.22 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-N-methyl-N-piperidin-4-yl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 154864882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).