6-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine

C12H14N4O2 — CID 116701531

IUPAC6-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESCOC1(c2noc(-c3cccc(N)n3)n2)CCC1
InChIInChI=1S/C12H14N4O2/c1-17-12(6-3-7-12)11-15-10(18-16-11)8-4-2-5-9(13)14-8/h2,4-5H,3,6-7H2,1H3,(H2,13,14)
InChIKeyAINGTOAXQOQCTQ-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.74
Rot. Bonds3

About 6-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine

6-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine (PubChem CID 116701531) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 6-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name6-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
PubChem CID116701531
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name6-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESCOC1(c2noc(-c3cccc(N)n3)n2)CCC1
InChIInChI=1S/C12H14N4O2/c1-17-12(6-3-7-12)11-15-10(18-16-11)8-4-2-5-9(13)14-8/h2,4-5H,3,6-7H2,1H3,(H2,13,14)
InChIKeyAINGTOAXQOQCTQ-UHFFFAOYSA-N
XLogP1.74
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-6-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136954546
3-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 116701543
4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
CID 104609706
5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 104609683
5-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
CID 116743159
[6-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine
CID 116701297
3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136928492
2-bromo-5-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107813828
2,6-dichloro-4-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116701463
5-chloro-2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116701313
4-iodo-2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116701426
4-fluoro-3-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116701424

Frequently Asked Questions

What is the IUPAC name of 6-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The IUPAC name of 6-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine (CID 116701531) is 6-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 6-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The canonical SMILES for 6-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine is COC1(c2noc(-c3cccc(N)n3)n2)CCC1.
What is the InChIKey of 6-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The InChIKey is AINGTOAXQOQCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-17-12(6-3-7-12)11-15-10(18-16-11)8-4-2-5-9(13)14-8/h2,4-5H,3,6-7H2,1H3,(H2,13,14).
What are the key properties of 6-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
6-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine has a molecular weight of 246.27 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 116701531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).