3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-amine

C10H17N3O2 — CID 116743450

IUPAC3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-amine
SMILESCOC(c1noc(N)n1)C1CCCCC1
InChIInChI=1S/C10H17N3O2/c1-14-8(7-5-3-2-4-6-7)9-12-10(11)15-13-9/h7-8H,2-6H2,1H3,(H2,11,12,13)
InChIKeyGOIQPRKIUHMSKJ-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.92
Rot. Bonds3

About 3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-amine

3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-amine (PubChem CID 116743450) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-amine
PubChem CID116743450
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-amine
SMILESCOC(c1noc(N)n1)C1CCCCC1
InChIInChI=1S/C10H17N3O2/c1-14-8(7-5-3-2-4-6-7)9-12-10(11)15-13-9/h7-8H,2-6H2,1H3,(H2,11,12,13)
InChIKeyGOIQPRKIUHMSKJ-UHFFFAOYSA-N
XLogP1.92
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-amine (CID 116743450) is 3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-amine is COC(c1noc(N)n1)C1CCCCC1.
What is the InChIKey of 3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-amine?
The InChIKey is GOIQPRKIUHMSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-14-8(7-5-3-2-4-6-7)9-12-10(11)15-13-9/h7-8H,2-6H2,1H3,(H2,11,12,13).
What are the key properties of 3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-amine?
3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-amine has a molecular weight of 211.26 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 116743450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).