[5-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine

C14H19N3O3 — CID 116741810

IUPAC[5-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine
SMILESCOC1(c2noc(-c3ccc(CN)o3)n2)CCCCC1
InChIInChI=1S/C14H19N3O3/c1-18-14(7-3-2-4-8-14)13-16-12(20-17-13)11-6-5-10(9-15)19-11/h5-6H,2-4,7-9,15H2,1H3
InChIKeyKLDAEOUZVKWFHK-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.59
Rot. Bonds4

About [5-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine

[5-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine (PubChem CID 116741810) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is [5-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine
PubChem CID116741810
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name[5-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine
SMILESCOC1(c2noc(-c3ccc(CN)o3)n2)CCCCC1
InChIInChI=1S/C14H19N3O3/c1-18-14(7-3-2-4-8-14)13-16-12(20-17-13)11-6-5-10(9-15)19-11/h5-6H,2-4,7-9,15H2,1H3
InChIKeyKLDAEOUZVKWFHK-UHFFFAOYSA-N
XLogP2.59
TPSA87.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 116741607
4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
CID 104609706
[6-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine
CID 116701297
3-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine
CID 116743211
5-bromo-2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
CID 104609673
4-iodo-2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116701426
4-bromo-2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116701438
2-[4-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 116741659
[5-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)furan-2-yl]methanamine
CID 116807317
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
3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136928492

Frequently Asked Questions

What is the IUPAC name of [5-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine?
The IUPAC name of [5-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine (CID 116741810) is [5-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine.
What is the SMILES notation for [5-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine?
The canonical SMILES for [5-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine is COC1(c2noc(-c3ccc(CN)o3)n2)CCCCC1.
What is the InChIKey of [5-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine?
The InChIKey is KLDAEOUZVKWFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-18-14(7-3-2-4-8-14)13-16-12(20-17-13)11-6-5-10(9-15)19-11/h5-6H,2-4,7-9,15H2,1H3.
What are the key properties of [5-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine?
[5-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine has a molecular weight of 277.32 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine is sourced from PubChem (CID 116741810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).