2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine

C16H24N4O — CID 63554406

IUPAC2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)c1nc(-c2cccc(C)n2)no1
InChIInChI=1S/C16H24N4O/c1-5-10-17-13(6-2)12(4)16-19-15(20-21-16)14-9-7-8-11(3)18-14/h7-9,12-13,17H,5-6,10H2,1-4H3
InChIKeyIDIRKBUXYSSBDX-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.32
Rot. Bonds7

About 2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine

2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine (PubChem CID 63554406) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine.

Molecular Properties

Compound Name2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine
PubChem CID63554406
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)c1nc(-c2cccc(C)n2)no1
InChIInChI=1S/C16H24N4O/c1-5-10-17-13(6-2)12(4)16-19-15(20-21-16)14-9-7-8-11(3)18-14/h7-9,12-13,17H,5-6,10H2,1-4H3
InChIKeyIDIRKBUXYSSBDX-UHFFFAOYSA-N
XLogP3.32
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine?
The IUPAC name of 2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine (CID 63554406) is 2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine.
What is the SMILES notation for 2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine?
The canonical SMILES for 2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine is CCCNC(CC)C(C)c1nc(-c2cccc(C)n2)no1.
What is the InChIKey of 2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine?
The InChIKey is IDIRKBUXYSSBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-5-10-17-13(6-2)12(4)16-19-15(20-21-16)14-9-7-8-11(3)18-14/h7-9,12-13,17H,5-6,10H2,1-4H3.
What are the key properties of 2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine?
2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine has a molecular weight of 288.39 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine is sourced from PubChem (CID 63554406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).