2-[6-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]ethanamine

C12H16N4O2 — CID 79169644

IUPAC2-[6-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]ethanamine
SMILESCc1ccc(OCc2noc(C)n2)c(CCN)n1
InChIInChI=1S/C12H16N4O2/c1-8-3-4-11(10(14-8)5-6-13)17-7-12-15-9(2)18-16-12/h3-4H,5-7,13H2,1-2H3
InChIKeyVFWPOOUZBRMVNM-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.16
Rot. Bonds5

About 2-[6-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]ethanamine

2-[6-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]ethanamine (PubChem CID 79169644) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-[6-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-[6-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]ethanamine
PubChem CID79169644
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name2-[6-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]ethanamine
SMILESCc1ccc(OCc2noc(C)n2)c(CCN)n1
InChIInChI=1S/C12H16N4O2/c1-8-3-4-11(10(14-8)5-6-13)17-7-12-15-9(2)18-16-12/h3-4H,5-7,13H2,1-2H3
InChIKeyVFWPOOUZBRMVNM-UHFFFAOYSA-N
XLogP1.16
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-methyl-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]ethanamine
CID 79169402
2-[6-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-2-pyridinyl]ethanamine
CID 79168989
2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 54931053
2-[2-chloro-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 114321504
2-[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]ethanamine
CID 79168987
2-[3-(2-bromoprop-2-enoxy)-6-methyl-2-pyridinyl]ethanamine
CID 79168660
[6-methyl-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]methanol
CID 79157639
2-(6-methyl-3-pentoxy-2-pyridinyl)ethanamine
CID 79168982
[3-bromo-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
CID 63047206
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]aniline
CID 50988182
2-[3-(3-ethoxypropoxy)-6-methyl-2-pyridinyl]ethanamine
CID 79169891
2-[3-(cyclopentylmethoxy)-6-methyl-2-pyridinyl]ethanamine
CID 79169642

Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]ethanamine?
The IUPAC name of 2-[6-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]ethanamine (CID 79169644) is 2-[6-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]ethanamine.
What is the SMILES notation for 2-[6-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]ethanamine?
The canonical SMILES for 2-[6-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]ethanamine is Cc1ccc(OCc2noc(C)n2)c(CCN)n1.
What is the InChIKey of 2-[6-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]ethanamine?
The InChIKey is VFWPOOUZBRMVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-8-3-4-11(10(14-8)5-6-13)17-7-12-15-9(2)18-16-12/h3-4H,5-7,13H2,1-2H3.
What are the key properties of 2-[6-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]ethanamine?
2-[6-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]ethanamine has a molecular weight of 248.29 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]ethanamine is sourced from PubChem (CID 79169644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).