2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-N-ethylpentan-3-amine

C17H31N3O — CID 80610609

IUPAC2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-N-ethylpentan-3-amine
SMILESCCNC(CC)C(C)c1nc(C2CCCCCCC2)no1
InChIInChI=1S/C17H31N3O/c1-4-15(18-5-2)13(3)17-19-16(20-21-17)14-11-9-7-6-8-10-12-14/h13-15,18H,4-12H2,1-3H3
InChIKeyQVKJKPXFEWPFSC-UHFFFAOYSA-N
MW293.46 g/mol
LogP4.39
Rot. Bonds6

About 2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-N-ethylpentan-3-amine

2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-N-ethylpentan-3-amine (PubChem CID 80610609) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is 2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-N-ethylpentan-3-amine.

Molecular Properties

Compound Name2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-N-ethylpentan-3-amine
PubChem CID80610609
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC Name2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-N-ethylpentan-3-amine
SMILESCCNC(CC)C(C)c1nc(C2CCCCCCC2)no1
InChIInChI=1S/C17H31N3O/c1-4-15(18-5-2)13(3)17-19-16(20-21-17)14-11-9-7-6-8-10-12-14/h13-15,18H,4-12H2,1-3H3
InChIKeyQVKJKPXFEWPFSC-UHFFFAOYSA-N
XLogP4.39
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-N-ethylpentan-3-amine?
The IUPAC name of 2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-N-ethylpentan-3-amine (CID 80610609) is 2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-N-ethylpentan-3-amine.
What is the SMILES notation for 2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-N-ethylpentan-3-amine?
The canonical SMILES for 2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-N-ethylpentan-3-amine is CCNC(CC)C(C)c1nc(C2CCCCCCC2)no1.
What is the InChIKey of 2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-N-ethylpentan-3-amine?
The InChIKey is QVKJKPXFEWPFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-4-15(18-5-2)13(3)17-19-16(20-21-17)14-11-9-7-6-8-10-12-14/h13-15,18H,4-12H2,1-3H3.
What are the key properties of 2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-N-ethylpentan-3-amine?
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-N-ethylpentan-3-amine has a molecular weight of 293.46 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-N-ethylpentan-3-amine is sourced from PubChem (CID 80610609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).