1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylpiperidin-4-amine

C15H19ClN4O — CID 115312991

IUPAC1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylpiperidin-4-amine
SMILESCC1CC(N)CCN1Cc1noc(-c2ccccc2Cl)n1
InChIInChI=1S/C15H19ClN4O/c1-10-8-11(17)6-7-20(10)9-14-18-15(21-19-14)12-4-2-3-5-13(12)16/h2-5,10-11H,6-9,17H2,1H3
InChIKeyYQHCEXIPFZVYPH-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.70
Rot. Bonds3

About 1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylpiperidin-4-amine

1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylpiperidin-4-amine (PubChem CID 115312991) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylpiperidin-4-amine
PubChem CID115312991
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylpiperidin-4-amine
SMILESCC1CC(N)CCN1Cc1noc(-c2ccccc2Cl)n1
InChIInChI=1S/C15H19ClN4O/c1-10-8-11(17)6-7-20(10)9-14-18-15(21-19-14)12-4-2-3-5-13(12)16/h2-5,10-11H,6-9,17H2,1H3
InChIKeyYQHCEXIPFZVYPH-UHFFFAOYSA-N
XLogP2.70
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]methanamine
CID 115312732
5-(2-chlorophenyl)-3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 104975780
1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidine-3,4-diol
CID 106672141
5-(2-chlorophenyl)-3-propyl-1,2,4-oxadiazole
CID 869984
1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpiperidin-4-amine
CID 115313163
1-[4-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]butan-1-one
CID 42879655
2-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 12551367
2-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine
CID 106418175
1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-one
CID 71794585
(1R)-2,2,2-trifluoro-1-[(2R)-1-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]ethanol
CID 99848982
1-[(5-bromofuran-2-yl)methyl]-2-methylpiperidin-4-amine
CID 115311896
1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
CID 62068171

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylpiperidin-4-amine?
The IUPAC name of 1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylpiperidin-4-amine (CID 115312991) is 1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylpiperidin-4-amine.
What is the SMILES notation for 1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylpiperidin-4-amine?
The canonical SMILES for 1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylpiperidin-4-amine is CC1CC(N)CCN1Cc1noc(-c2ccccc2Cl)n1.
What is the InChIKey of 1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylpiperidin-4-amine?
The InChIKey is YQHCEXIPFZVYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-10-8-11(17)6-7-20(10)9-14-18-15(21-19-14)12-4-2-3-5-13(12)16/h2-5,10-11H,6-9,17H2,1H3.
What are the key properties of 1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylpiperidin-4-amine?
1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylpiperidin-4-amine has a molecular weight of 306.80 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylpiperidin-4-amine is sourced from PubChem (CID 115312991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).