N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanamine

C17H23N3O — CID 138043202

IUPACN-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanamine
SMILESCC(NC1CCCCC1)c1noc(Cc2ccccc2)n1
InChIInChI=1S/C17H23N3O/c1-13(18-15-10-6-3-7-11-15)17-19-16(21-20-17)12-14-8-4-2-5-9-14/h2,4-5,8-9,13,15,18H,3,6-7,10-12H2,1H3
InChIKeyORUKUHWEGZTXJE-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.64
Rot. Bonds5

About N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanamine

N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanamine (PubChem CID 138043202) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanamine.

Molecular Properties

Compound NameN-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanamine
PubChem CID138043202
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanamine
SMILESCC(NC1CCCCC1)c1noc(Cc2ccccc2)n1
InChIInChI=1S/C17H23N3O/c1-13(18-15-10-6-3-7-11-15)17-19-16(21-20-17)12-14-8-4-2-5-9-14/h2,4-5,8-9,13,15,18H,3,6-7,10-12H2,1H3
InChIKeyORUKUHWEGZTXJE-UHFFFAOYSA-N
XLogP3.64
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanamine?
The IUPAC name of N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanamine (CID 138043202) is N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanamine.
What is the SMILES notation for N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanamine?
The canonical SMILES for N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanamine is CC(NC1CCCCC1)c1noc(Cc2ccccc2)n1.
What is the InChIKey of N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanamine?
The InChIKey is ORUKUHWEGZTXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13(18-15-10-6-3-7-11-15)17-19-16(21-20-17)12-14-8-4-2-5-9-14/h2,4-5,8-9,13,15,18H,3,6-7,10-12H2,1H3.
What are the key properties of N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanamine?
N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanamine has a molecular weight of 285.39 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanamine is sourced from PubChem (CID 138043202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).