3-cyclopropyl-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1,2,4-oxadiazol-5-amine

C13H19N3O2 — CID 71929934

IUPAC3-cyclopropyl-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1,2,4-oxadiazol-5-amine
SMILESCC1(C)C(Nc2nc(C3CC3)no2)C2CCOC21
InChIInChI=1S/C13H19N3O2/c1-13(2)9(8-5-6-17-10(8)13)14-12-15-11(16-18-12)7-3-4-7/h7-10H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyOMPZXOQPZZIHMZ-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.17
Rot. Bonds3

About 3-cyclopropyl-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1,2,4-oxadiazol-5-amine

3-cyclopropyl-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1,2,4-oxadiazol-5-amine (PubChem CID 71929934) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-cyclopropyl-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1,2,4-oxadiazol-5-amine
PubChem CID71929934
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-cyclopropyl-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1,2,4-oxadiazol-5-amine
SMILESCC1(C)C(Nc2nc(C3CC3)no2)C2CCOC21
InChIInChI=1S/C13H19N3O2/c1-13(2)9(8-5-6-17-10(8)13)14-12-15-11(16-18-12)7-3-4-7/h7-10H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyOMPZXOQPZZIHMZ-UHFFFAOYSA-N
XLogP2.17
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1,2,4-oxadiazol-5-amine (CID 71929934) is 3-cyclopropyl-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1,2,4-oxadiazol-5-amine is CC1(C)C(Nc2nc(C3CC3)no2)C2CCOC21.
What is the InChIKey of 3-cyclopropyl-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1,2,4-oxadiazol-5-amine?
The InChIKey is OMPZXOQPZZIHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-13(2)9(8-5-6-17-10(8)13)14-12-15-11(16-18-12)7-3-4-7/h7-10H,3-6H2,1-2H3,(H,14,15,16).
What are the key properties of 3-cyclopropyl-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1,2,4-oxadiazol-5-amine?
3-cyclopropyl-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1,2,4-oxadiazol-5-amine has a molecular weight of 249.31 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 71929934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).