2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine

C16H22N4O — CID 82732105

IUPAC2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
SMILESCCc1cccnc1-c1noc(C2CCCCCC2N)n1
InChIInChI=1S/C16H22N4O/c1-2-11-7-6-10-18-14(11)15-19-16(21-20-15)12-8-4-3-5-9-13(12)17/h6-7,10,12-13H,2-5,8-9,17H2,1H3
InChIKeyXWDPZPCXEZZBLF-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.07
Rot. Bonds3

About 2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine

2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine (PubChem CID 82732105) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine.

Molecular Properties

Compound Name2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
PubChem CID82732105
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
SMILESCCc1cccnc1-c1noc(C2CCCCCC2N)n1
InChIInChI=1S/C16H22N4O/c1-2-11-7-6-10-18-14(11)15-19-16(21-20-15)12-8-4-3-5-9-13(12)17/h6-7,10,12-13H,2-5,8-9,17H2,1H3
InChIKeyXWDPZPCXEZZBLF-UHFFFAOYSA-N
XLogP3.07
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine?
The IUPAC name of 2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine (CID 82732105) is 2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine.
What is the SMILES notation for 2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine?
The canonical SMILES for 2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine is CCc1cccnc1-c1noc(C2CCCCCC2N)n1.
What is the InChIKey of 2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine?
The InChIKey is XWDPZPCXEZZBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-2-11-7-6-10-18-14(11)15-19-16(21-20-15)12-8-4-3-5-9-13(12)17/h6-7,10,12-13H,2-5,8-9,17H2,1H3.
What are the key properties of 2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine?
2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine has a molecular weight of 286.38 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine is sourced from PubChem (CID 82732105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).