1-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine

C16H25N3O — CID 61352919

IUPAC1-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
SMILESNC1(c2noc(CC3CC4CCC3C4)n2)CCCCC1
InChIInChI=1S/C16H25N3O/c17-16(6-2-1-3-7-16)15-18-14(20-19-15)10-13-9-11-4-5-12(13)8-11/h11-13H,1-10,17H2
InChIKeyBZPDYJSBOKLCIX-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.17
Rot. Bonds3

About 1-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine

1-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine (PubChem CID 61352919) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
PubChem CID61352919
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
SMILESNC1(c2noc(CC3CC4CCC3C4)n2)CCCCC1
InChIInChI=1S/C16H25N3O/c17-16(6-2-1-3-7-16)15-18-14(20-19-15)10-13-9-11-4-5-12(13)8-11/h11-13H,1-10,17H2
InChIKeyBZPDYJSBOKLCIX-UHFFFAOYSA-N
XLogP3.17
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
The IUPAC name of 1-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine (CID 61352919) is 1-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine.
What is the SMILES notation for 1-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
The canonical SMILES for 1-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine is NC1(c2noc(CC3CC4CCC3C4)n2)CCCCC1.
What is the InChIKey of 1-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
The InChIKey is BZPDYJSBOKLCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c17-16(6-2-1-3-7-16)15-18-14(20-19-15)10-13-9-11-4-5-12(13)8-11/h11-13H,1-10,17H2.
What are the key properties of 1-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
1-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine has a molecular weight of 275.40 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine is sourced from PubChem (CID 61352919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).