[4-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine

C13H21N3O3 — CID 116701465

IUPAC[4-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
SMILESCOC1(c2noc(C3(CN)CCOCC3)n2)CCC1
InChIInChI=1S/C13H21N3O3/c1-17-13(3-2-4-13)10-15-11(19-16-10)12(9-14)5-7-18-8-6-12/h2-9,14H2,1H3
InChIKeyJOLNWUCACFOUPU-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.10
Rot. Bonds4

About [4-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine

[4-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine (PubChem CID 116701465) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is [4-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
PubChem CID116701465
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name[4-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
SMILESCOC1(c2noc(C3(CN)CCOCC3)n2)CCC1
InChIInChI=1S/C13H21N3O3/c1-17-13(3-2-4-13)10-15-11(19-16-10)12(9-14)5-7-18-8-6-12/h2-9,14H2,1H3
InChIKeyJOLNWUCACFOUPU-UHFFFAOYSA-N
XLogP1.10
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
CID 115440197
1-[[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 116742003
3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-amine
CID 116742083
4-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 116742423
2-[[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]methoxy]ethanamine
CID 116701492
[4-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
CID 116704065
ethyl 1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 116704720
3-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 116741976
2-methoxy-2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106109357
2-ethyl-2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 116742037
ethyl 5-[4-(aminomethyl)oxan-4-yl]-1,2,4-oxadiazole-3-carboxylate
CID 112631526
2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine
CID 116701344

Frequently Asked Questions

What is the IUPAC name of [4-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine?
The IUPAC name of [4-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine (CID 116701465) is [4-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine.
What is the SMILES notation for [4-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine?
The canonical SMILES for [4-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine is COC1(c2noc(C3(CN)CCOCC3)n2)CCC1.
What is the InChIKey of [4-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine?
The InChIKey is JOLNWUCACFOUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-17-13(3-2-4-13)10-15-11(19-16-10)12(9-14)5-7-18-8-6-12/h2-9,14H2,1H3.
What are the key properties of [4-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine?
[4-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine has a molecular weight of 267.33 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine is sourced from PubChem (CID 116701465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).