3-benzyl-N-cyclohexyl-1,2,4-oxadiazol-5-amine

C15H19N3O — CID 50905562

IUPAC3-benzyl-N-cyclohexyl-1,2,4-oxadiazol-5-amine
SMILESc1ccc(Cc2noc(NC3CCCCC3)n2)cc1
InChIInChI=1S/C15H19N3O/c1-3-7-12(8-4-1)11-14-17-15(19-18-14)16-13-9-5-2-6-10-13/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,16,17,18)
InChIKeyNDKUIEATPFRLIB-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.40
Rot. Bonds4

About 3-benzyl-N-cyclohexyl-1,2,4-oxadiazol-5-amine

3-benzyl-N-cyclohexyl-1,2,4-oxadiazol-5-amine (PubChem CID 50905562) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-benzyl-N-cyclohexyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-benzyl-N-cyclohexyl-1,2,4-oxadiazol-5-amine
PubChem CID50905562
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-benzyl-N-cyclohexyl-1,2,4-oxadiazol-5-amine
SMILESc1ccc(Cc2noc(NC3CCCCC3)n2)cc1
InChIInChI=1S/C15H19N3O/c1-3-7-12(8-4-1)11-14-17-15(19-18-14)16-13-9-5-2-6-10-13/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,16,17,18)
InChIKeyNDKUIEATPFRLIB-UHFFFAOYSA-N
XLogP3.40
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-cyclohexyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-benzyl-N-cyclohexyl-1,2,4-oxadiazol-5-amine (CID 50905562) is 3-benzyl-N-cyclohexyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-benzyl-N-cyclohexyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-benzyl-N-cyclohexyl-1,2,4-oxadiazol-5-amine is c1ccc(Cc2noc(NC3CCCCC3)n2)cc1.
What is the InChIKey of 3-benzyl-N-cyclohexyl-1,2,4-oxadiazol-5-amine?
The InChIKey is NDKUIEATPFRLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-7-12(8-4-1)11-14-17-15(19-18-14)16-13-9-5-2-6-10-13/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,16,17,18).
What are the key properties of 3-benzyl-N-cyclohexyl-1,2,4-oxadiazol-5-amine?
3-benzyl-N-cyclohexyl-1,2,4-oxadiazol-5-amine has a molecular weight of 257.34 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-cyclohexyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 50905562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).