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

C13H16N4O2 — CID 104609683

IUPAC5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESCOC1(c2noc(-c3ccc(N)nc3)n2)CCCC1
InChIInChI=1S/C13H16N4O2/c1-18-13(6-2-3-7-13)12-16-11(19-17-12)9-4-5-10(14)15-8-9/h4-5,8H,2-3,6-7H2,1H3,(H2,14,15)
InChIKeyALZZPTUIPUDSDI-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.13
Rot. Bonds3

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

5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine (PubChem CID 104609683) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
PubChem CID104609683
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESCOC1(c2noc(-c3ccc(N)nc3)n2)CCCC1
InChIInChI=1S/C13H16N4O2/c1-18-13(6-2-3-7-13)12-16-11(19-17-12)9-4-5-10(14)15-8-9/h4-5,8H,2-3,6-7H2,1H3,(H2,14,15)
InChIKeyALZZPTUIPUDSDI-UHFFFAOYSA-N
XLogP2.13
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
CID 104609706
4-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 116741607
2-bromo-5-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107813828
5-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 116743136
4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136904519
4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 116742192
5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 104612057
3-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine
CID 116743211
6-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 116701531
2,6-dichloro-4-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116701463
5-bromo-2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
CID 104609673
5-(1H-imidazo[4,5-b]pyridin-6-yl)-3-(1-methoxycyclopentyl)-1,2,4-oxadiazole
CID 146143440

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The IUPAC name of 5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine (CID 104609683) is 5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The canonical SMILES for 5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine is COC1(c2noc(-c3ccc(N)nc3)n2)CCCC1.
What is the InChIKey of 5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The InChIKey is ALZZPTUIPUDSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-18-13(6-2-3-7-13)12-16-11(19-17-12)9-4-5-10(14)15-8-9/h4-5,8H,2-3,6-7H2,1H3,(H2,14,15).
What are the key properties of 5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine has a molecular weight of 260.30 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 104609683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).