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

C13H18N4O — CID 114877100

IUPAC3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
SMILESCCC(N)(CC)c1nc(-c2cnccc2C)no1
InChIInChI=1S/C13H18N4O/c1-4-13(14,5-2)12-16-11(17-18-12)10-8-15-7-6-9(10)3/h6-8H,4-5,14H2,1-3H3
InChIKeyLWGAOPXXMWVALA-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.41
Rot. Bonds4

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

3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine (PubChem CID 114877100) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine.

Molecular Properties

Compound Name3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
PubChem CID114877100
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
SMILESCCC(N)(CC)c1nc(-c2cnccc2C)no1
InChIInChI=1S/C13H18N4O/c1-4-13(14,5-2)12-16-11(17-18-12)10-8-15-7-6-9(10)3/h6-8H,4-5,14H2,1-3H3
InChIKeyLWGAOPXXMWVALA-UHFFFAOYSA-N
XLogP2.41
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine?
The IUPAC name of 3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine (CID 114877100) is 3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine.
What is the SMILES notation for 3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine?
The canonical SMILES for 3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine is CCC(N)(CC)c1nc(-c2cnccc2C)no1.
What is the InChIKey of 3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine?
The InChIKey is LWGAOPXXMWVALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-4-13(14,5-2)12-16-11(17-18-12)10-8-15-7-6-9(10)3/h6-8H,4-5,14H2,1-3H3.
What are the key properties of 3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine?
3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine has a molecular weight of 246.31 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine is sourced from PubChem (CID 114877100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).