4-ethyl-1-[5-(5-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine

C15H21N3O2 — CID 114822750

IUPAC4-ethyl-1-[5-(5-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
SMILESCCC1CCC(N)(c2noc(-c3coc(C)c3)n2)CC1
InChIInChI=1S/C15H21N3O2/c1-3-11-4-6-15(16,7-5-11)14-17-13(20-18-14)12-8-10(2)19-9-12/h8-9,11H,3-7,16H2,1-2H3
InChIKeyXQFUDRZINBGCQG-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.39
Rot. Bonds3

About 4-ethyl-1-[5-(5-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine

4-ethyl-1-[5-(5-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine (PubChem CID 114822750) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-ethyl-1-[5-(5-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-1-[5-(5-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
PubChem CID114822750
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name4-ethyl-1-[5-(5-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
SMILESCCC1CCC(N)(c2noc(-c3coc(C)c3)n2)CC1
InChIInChI=1S/C15H21N3O2/c1-3-11-4-6-15(16,7-5-11)14-17-13(20-18-14)12-8-10(2)19-9-12/h8-9,11H,3-7,16H2,1-2H3
InChIKeyXQFUDRZINBGCQG-UHFFFAOYSA-N
XLogP3.39
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[5-(5-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
The IUPAC name of 4-ethyl-1-[5-(5-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine (CID 114822750) is 4-ethyl-1-[5-(5-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-1-[5-(5-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-1-[5-(5-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine is CCC1CCC(N)(c2noc(-c3coc(C)c3)n2)CC1.
What is the InChIKey of 4-ethyl-1-[5-(5-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
The InChIKey is XQFUDRZINBGCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-11-4-6-15(16,7-5-11)14-17-13(20-18-14)12-8-10(2)19-9-12/h8-9,11H,3-7,16H2,1-2H3.
What are the key properties of 4-ethyl-1-[5-(5-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
4-ethyl-1-[5-(5-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine has a molecular weight of 275.35 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[5-(5-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine is sourced from PubChem (CID 114822750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).