3-cyclohexyl-N-propan-2-yl-1,2,4-oxadiazol-5-amine

C11H19N3O — CID 50905358

IUPAC3-cyclohexyl-N-propan-2-yl-1,2,4-oxadiazol-5-amine
SMILESCC(C)Nc1nc(C2CCCCC2)no1
InChIInChI=1S/C11H19N3O/c1-8(2)12-11-13-10(14-15-11)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyKXOJVGOYKZZPCF-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.94
Rot. Bonds3

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

3-cyclohexyl-N-propan-2-yl-1,2,4-oxadiazol-5-amine (PubChem CID 50905358) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-cyclohexyl-N-propan-2-yl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-cyclohexyl-N-propan-2-yl-1,2,4-oxadiazol-5-amine
PubChem CID50905358
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-cyclohexyl-N-propan-2-yl-1,2,4-oxadiazol-5-amine
SMILESCC(C)Nc1nc(C2CCCCC2)no1
InChIInChI=1S/C11H19N3O/c1-8(2)12-11-13-10(14-15-11)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyKXOJVGOYKZZPCF-UHFFFAOYSA-N
XLogP2.94
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-propan-2-yl-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-cyclohexyl-N-propan-2-yl-1,2,4-oxadiazol-5-amine (CID 50905358) is 3-cyclohexyl-N-propan-2-yl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-cyclohexyl-N-propan-2-yl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-cyclohexyl-N-propan-2-yl-1,2,4-oxadiazol-5-amine is CC(C)Nc1nc(C2CCCCC2)no1.
What is the InChIKey of 3-cyclohexyl-N-propan-2-yl-1,2,4-oxadiazol-5-amine?
The InChIKey is KXOJVGOYKZZPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8(2)12-11-13-10(14-15-11)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,12,13,14).
What are the key properties of 3-cyclohexyl-N-propan-2-yl-1,2,4-oxadiazol-5-amine?
3-cyclohexyl-N-propan-2-yl-1,2,4-oxadiazol-5-amine has a molecular weight of 209.29 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-propan-2-yl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 50905358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).