[3-[3-(1-methylpiperidin-3-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]methanamine

C15H20N4O2 — CID 117465934

IUPAC[3-[3-(1-methylpiperidin-3-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCN1CCCC(Oc2cccc(-c3noc(CN)n3)c2)C1
InChIInChI=1S/C15H20N4O2/c1-19-7-3-6-13(10-19)20-12-5-2-4-11(8-12)15-17-14(9-16)21-18-15/h2,4-5,8,13H,3,6-7,9-10,16H2,1H3
InChIKeySQXGXWPLWFYTIC-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.67
Rot. Bonds4

About [3-[3-(1-methylpiperidin-3-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]methanamine

[3-[3-(1-methylpiperidin-3-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 117465934) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is [3-[3-(1-methylpiperidin-3-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-[3-(1-methylpiperidin-3-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID117465934
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name[3-[3-(1-methylpiperidin-3-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCN1CCCC(Oc2cccc(-c3noc(CN)n3)c2)C1
InChIInChI=1S/C15H20N4O2/c1-19-7-3-6-13(10-19)20-12-5-2-4-11(8-12)15-17-14(9-16)21-18-15/h2,4-5,8,13H,3,6-7,9-10,16H2,1H3
InChIKeySQXGXWPLWFYTIC-UHFFFAOYSA-N
XLogP1.67
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(3-cyclobutyloxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117364923
[3-[3-(oxan-4-yloxy)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117440122
[3-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117489651
[3-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 43839720
[3-(3-cyclobutylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117330765
2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483329
ethane;1-methyl-3-phenoxypiperidine
CID 176561362
5-(2-cyclopentylethyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 8895516
3-(1-methylpiperidin-3-yl)oxy-5-phenyl-1,2-oxazole;hydrochloride
CID 19038091
[1-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methanol
CID 111103293
1-[3-(1-methylpiperidin-3-yl)oxyphenyl]propan-2-ol
CID 115005736
(4aS,8aS)-4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 95154066

Frequently Asked Questions

What is the IUPAC name of [3-[3-(1-methylpiperidin-3-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-[3-(1-methylpiperidin-3-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]methanamine (CID 117465934) is [3-[3-(1-methylpiperidin-3-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-[3-(1-methylpiperidin-3-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-[3-(1-methylpiperidin-3-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]methanamine is CN1CCCC(Oc2cccc(-c3noc(CN)n3)c2)C1.
What is the InChIKey of [3-[3-(1-methylpiperidin-3-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is SQXGXWPLWFYTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-19-7-3-6-13(10-19)20-12-5-2-4-11(8-12)15-17-14(9-16)21-18-15/h2,4-5,8,13H,3,6-7,9-10,16H2,1H3.
What are the key properties of [3-[3-(1-methylpiperidin-3-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]methanamine?
[3-[3-(1-methylpiperidin-3-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 288.35 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(1-methylpiperidin-3-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 117465934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).