3-cyclopropyl-N-(3-ethoxyspiro[3.3]heptan-1-yl)-1,2,4-oxadiazol-5-amine

C14H21N3O2 — CID 71926510

IUPAC3-cyclopropyl-N-(3-ethoxyspiro[3.3]heptan-1-yl)-1,2,4-oxadiazol-5-amine
SMILESCCOC1CC(Nc2nc(C3CC3)no2)C12CCC2
InChIInChI=1S/C14H21N3O2/c1-2-18-11-8-10(14(11)6-3-7-14)15-13-16-12(17-19-13)9-4-5-9/h9-11H,2-8H2,1H3,(H,15,16,17)
InChIKeyVMDPHINFVNHIPK-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.71
Rot. Bonds5

About 3-cyclopropyl-N-(3-ethoxyspiro[3.3]heptan-1-yl)-1,2,4-oxadiazol-5-amine

3-cyclopropyl-N-(3-ethoxyspiro[3.3]heptan-1-yl)-1,2,4-oxadiazol-5-amine (PubChem CID 71926510) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-cyclopropyl-N-(3-ethoxyspiro[3.3]heptan-1-yl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-(3-ethoxyspiro[3.3]heptan-1-yl)-1,2,4-oxadiazol-5-amine
PubChem CID71926510
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-cyclopropyl-N-(3-ethoxyspiro[3.3]heptan-1-yl)-1,2,4-oxadiazol-5-amine
SMILESCCOC1CC(Nc2nc(C3CC3)no2)C12CCC2
InChIInChI=1S/C14H21N3O2/c1-2-18-11-8-10(14(11)6-3-7-14)15-13-16-12(17-19-13)9-4-5-9/h9-11H,2-8H2,1H3,(H,15,16,17)
InChIKeyVMDPHINFVNHIPK-UHFFFAOYSA-N
XLogP2.71
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(3-ethoxyspiro[3.3]heptan-1-yl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-(3-ethoxyspiro[3.3]heptan-1-yl)-1,2,4-oxadiazol-5-amine (CID 71926510) is 3-cyclopropyl-N-(3-ethoxyspiro[3.3]heptan-1-yl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-(3-ethoxyspiro[3.3]heptan-1-yl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-(3-ethoxyspiro[3.3]heptan-1-yl)-1,2,4-oxadiazol-5-amine is CCOC1CC(Nc2nc(C3CC3)no2)C12CCC2.
What is the InChIKey of 3-cyclopropyl-N-(3-ethoxyspiro[3.3]heptan-1-yl)-1,2,4-oxadiazol-5-amine?
The InChIKey is VMDPHINFVNHIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-18-11-8-10(14(11)6-3-7-14)15-13-16-12(17-19-13)9-4-5-9/h9-11H,2-8H2,1H3,(H,15,16,17).
What are the key properties of 3-cyclopropyl-N-(3-ethoxyspiro[3.3]heptan-1-yl)-1,2,4-oxadiazol-5-amine?
3-cyclopropyl-N-(3-ethoxyspiro[3.3]heptan-1-yl)-1,2,4-oxadiazol-5-amine has a molecular weight of 263.34 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(3-ethoxyspiro[3.3]heptan-1-yl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 71926510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).