[4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine

C14H19N3O2 — CID 104797956

IUPAC[4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
SMILESCc1ccoc1-c1noc(C2CCC(CN)CC2)n1
InChIInChI=1S/C14H19N3O2/c1-9-6-7-18-12(9)13-16-14(19-17-13)11-4-2-10(8-15)3-5-11/h6-7,10-11H,2-5,8,15H2,1H3
InChIKeyQDKVZOYXFSTUIO-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.87
Rot. Bonds3

About [4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine

[4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine (PubChem CID 104797956) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is [4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
PubChem CID104797956
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name[4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
SMILESCc1ccoc1-c1noc(C2CCC(CN)CC2)n1
InChIInChI=1S/C14H19N3O2/c1-9-6-7-18-12(9)13-16-14(19-17-13)11-4-2-10(8-15)3-5-11/h6-7,10-11H,2-5,8,15H2,1H3
InChIKeyQDKVZOYXFSTUIO-UHFFFAOYSA-N
XLogP2.87
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 56770489
3-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]bicyclo[2.2.1]heptan-2-amine
CID 104797724
4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 104797798
3-(3-methylfuran-2-yl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900839
[4-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 79526331
[4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 79526044
ethane;[4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 171503859
5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-(3-methylfuran-2-yl)-1,2,4-oxadiazole
CID 102894808
[4-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 56770532
5-(chloromethyl)-3-(3-methylfuran-2-yl)-1,2,4-oxadiazole
CID 104797636
[4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 79525079
4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 60811920

Frequently Asked Questions

What is the IUPAC name of [4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
The IUPAC name of [4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine (CID 104797956) is [4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine.
What is the SMILES notation for [4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
The canonical SMILES for [4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine is Cc1ccoc1-c1noc(C2CCC(CN)CC2)n1.
What is the InChIKey of [4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
The InChIKey is QDKVZOYXFSTUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9-6-7-18-12(9)13-16-14(19-17-13)11-4-2-10(8-15)3-5-11/h6-7,10-11H,2-5,8,15H2,1H3.
What are the key properties of [4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
[4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine has a molecular weight of 261.32 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine is sourced from PubChem (CID 104797956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).