1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine

C16H22N4O — CID 104636055

IUPAC1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine
SMILESCc1ccc(-c2nc(C(N)CN3CCCCC3)no2)cc1
InChIInChI=1S/C16H22N4O/c1-12-5-7-13(8-6-12)16-18-15(19-21-16)14(17)11-20-9-3-2-4-10-20/h5-8,14H,2-4,9-11,17H2,1H3
InChIKeyBJCQNCAFBLTHOY-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.53
Rot. Bonds4

About 1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine

1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine (PubChem CID 104636055) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine.

Molecular Properties

Compound Name1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine
PubChem CID104636055
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine
SMILESCc1ccc(-c2nc(C(N)CN3CCCCC3)no2)cc1
InChIInChI=1S/C16H22N4O/c1-12-5-7-13(8-6-12)16-18-15(19-21-16)14(17)11-20-9-3-2-4-10-20/h5-8,14H,2-4,9-11,17H2,1H3
InChIKeyBJCQNCAFBLTHOY-UHFFFAOYSA-N
XLogP2.53
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(5-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine
CID 114822777
1-(5-methyl-1,2,4-oxadiazol-3-yl)-2-piperidin-1-ylethanamine
CID 104635946
1-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine
CID 104635686
2-piperidin-1-yl-1-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104635977
1-[5-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine
CID 103121999
2-piperidin-1-yl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 136754748
1-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine
CID 106689497
1-[5-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine
CID 103511982
2-morpholin-4-yl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 104636155
1-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine
CID 106689495
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-piperidin-1-ylethanamine
CID 104635994
1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine
CID 107974506

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine?
The IUPAC name of 1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine (CID 104636055) is 1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine.
What is the SMILES notation for 1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine?
The canonical SMILES for 1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine is Cc1ccc(-c2nc(C(N)CN3CCCCC3)no2)cc1.
What is the InChIKey of 1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine?
The InChIKey is BJCQNCAFBLTHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12-5-7-13(8-6-12)16-18-15(19-21-16)14(17)11-20-9-3-2-4-10-20/h5-8,14H,2-4,9-11,17H2,1H3.
What are the key properties of 1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine?
1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine has a molecular weight of 286.38 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine is sourced from PubChem (CID 104636055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).