5-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine

C13H18N4O2 — CID 116741283

IUPAC5-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESCCC(CC)(OC)c1noc(-c2ccc(N)nc2)n1
InChIInChI=1S/C13H18N4O2/c1-4-13(5-2,18-3)12-16-11(19-17-12)9-6-7-10(14)15-8-9/h6-8H,4-5H2,1-3H3,(H2,14,15)
InChIKeyQVFMYSGKTRHPSJ-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.38
Rot. Bonds5

About 5-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine

5-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine (PubChem CID 116741283) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 5-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
PubChem CID116741283
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name5-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESCCC(CC)(OC)c1noc(-c2ccc(N)nc2)n1
InChIInChI=1S/C13H18N4O2/c1-4-13(5-2,18-3)12-16-11(19-17-12)9-6-7-10(14)15-8-9/h6-8H,4-5H2,1-3H3,(H2,14,15)
InChIKeyQVFMYSGKTRHPSJ-UHFFFAOYSA-N
XLogP2.38
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 116741125
[4-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
CID 116741181
4-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106527456
2-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 116741239
3-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 116781614
5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 102926540
4-methoxy-2-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 116741295
5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 79954394
3-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylaniline
CID 116741164
5-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 65133456
[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 116741094
5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 104609683

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The IUPAC name of 5-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine (CID 116741283) is 5-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 5-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The canonical SMILES for 5-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine is CCC(CC)(OC)c1noc(-c2ccc(N)nc2)n1.
What is the InChIKey of 5-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The InChIKey is QVFMYSGKTRHPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-4-13(5-2,18-3)12-16-11(19-17-12)9-6-7-10(14)15-8-9/h6-8H,4-5H2,1-3H3,(H2,14,15).
What are the key properties of 5-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
5-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine has a molecular weight of 262.31 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 116741283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).