3-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine

C14H23N3O3 — CID 116741976

IUPAC3-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESCCOC1(c2noc(C3(N)CCOC3)n2)CCCCC1
InChIInChI=1S/C14H23N3O3/c1-2-19-14(6-4-3-5-7-14)11-16-12(20-17-11)13(15)8-9-18-10-13/h2-10,15H2,1H3
InChIKeyMCUSHOJPCIAMOD-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.84
Rot. Bonds4

About 3-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine

3-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (PubChem CID 116741976) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.

Molecular Properties

Compound Name3-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
PubChem CID116741976
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name3-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESCCOC1(c2noc(C3(N)CCOC3)n2)CCCCC1
InChIInChI=1S/C14H23N3O3/c1-2-19-14(6-4-3-5-7-14)11-16-12(20-17-11)13(15)8-9-18-10-13/h2-10,15H2,1H3
InChIKeyMCUSHOJPCIAMOD-UHFFFAOYSA-N
XLogP1.84
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
CID 116742976
3-(4-ethoxyoxan-4-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 116742298
3-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743688
3-(1-ethoxycyclohexyl)-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 116741864
3-(1-ethoxycyclopentyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 116741484
3-(1-ethoxycyclopentyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 116741448
3-[3-[cyclohexyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 116743659
4-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 115292653
[4-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
CID 116701465
(1S)-1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901859
1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 116741836
1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 116741506

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The IUPAC name of 3-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (CID 116741976) is 3-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.
What is the SMILES notation for 3-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The canonical SMILES for 3-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is CCOC1(c2noc(C3(N)CCOC3)n2)CCCCC1.
What is the InChIKey of 3-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The InChIKey is MCUSHOJPCIAMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-2-19-14(6-4-3-5-7-14)11-16-12(20-17-11)13(15)8-9-18-10-13/h2-10,15H2,1H3.
What are the key properties of 3-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
3-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine has a molecular weight of 281.36 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is sourced from PubChem (CID 116741976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).