cyclohexyl-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine

C15H25N5O — CID 79959997

IUPACcyclohexyl-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESNC(c1nc(C2CN3CCN2CC3)no1)C1CCCCC1
InChIInChI=1S/C15H25N5O/c16-13(11-4-2-1-3-5-11)15-17-14(18-21-15)12-10-19-6-8-20(12)9-7-19/h11-13H,1-10,16H2
InChIKeyNLANSKPRSMDNQK-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.32
Rot. Bonds3

About cyclohexyl-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine

cyclohexyl-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 79959997) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is cyclohexyl-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Namecyclohexyl-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID79959997
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Namecyclohexyl-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESNC(c1nc(C2CN3CCN2CC3)no1)C1CCCCC1
InChIInChI=1S/C15H25N5O/c16-13(11-4-2-1-3-5-11)15-17-14(18-21-15)12-10-19-6-8-20(12)9-7-19/h11-13H,1-10,16H2
InChIKeyNLANSKPRSMDNQK-UHFFFAOYSA-N
XLogP1.32
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of cyclohexyl-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine (CID 79959997) is cyclohexyl-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for cyclohexyl-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for cyclohexyl-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine is NC(c1nc(C2CN3CCN2CC3)no1)C1CCCCC1.
What is the InChIKey of cyclohexyl-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is NLANSKPRSMDNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c16-13(11-4-2-1-3-5-11)15-17-14(18-21-15)12-10-19-6-8-20(12)9-7-19/h11-13H,1-10,16H2.
What are the key properties of cyclohexyl-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine?
cyclohexyl-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 291.40 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 79959997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).