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

C15H27N3O2 — CID 116781447

IUPAC2-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine
SMILESCCC(N)C(C)c1nc(C(OC)C2CCCCC2)no1
InChIInChI=1S/C15H27N3O2/c1-4-12(16)10(2)15-17-14(18-20-15)13(19-3)11-8-6-5-7-9-11/h10-13H,4-9,16H2,1-3H3
InChIKeyIHJHBCIVKAUZCV-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.18
Rot. Bonds6

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

2-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine (PubChem CID 116781447) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine.

Molecular Properties

Compound Name2-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine
PubChem CID116781447
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name2-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine
SMILESCCC(N)C(C)c1nc(C(OC)C2CCCCC2)no1
InChIInChI=1S/C15H27N3O2/c1-4-12(16)10(2)15-17-14(18-20-15)13(19-3)11-8-6-5-7-9-11/h10-13H,4-9,16H2,1-3H3
InChIKeyIHJHBCIVKAUZCV-UHFFFAOYSA-N
XLogP3.18
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine?
The IUPAC name of 2-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine (CID 116781447) is 2-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine.
What is the SMILES notation for 2-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine?
The canonical SMILES for 2-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine is CCC(N)C(C)c1nc(C(OC)C2CCCCC2)no1.
What is the InChIKey of 2-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine?
The InChIKey is IHJHBCIVKAUZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-4-12(16)10(2)15-17-14(18-20-15)13(19-3)11-8-6-5-7-9-11/h10-13H,4-9,16H2,1-3H3.
What are the key properties of 2-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine?
2-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine has a molecular weight of 281.40 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine is sourced from PubChem (CID 116781447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).