2-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine

C13H23N3O2 — CID 107002985

IUPAC2-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
SMILESCC(C)OCC(C)(N)c1noc(C2CC2(C)C)n1
InChIInChI=1S/C13H23N3O2/c1-8(2)17-7-13(5,14)11-15-10(18-16-11)9-6-12(9,3)4/h8-9H,6-7,14H2,1-5H3
InChIKeyZQCHJAZWDMWSOD-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.18
Rot. Bonds5

About 2-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine

2-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine (PubChem CID 107002985) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine.

Molecular Properties

Compound Name2-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
PubChem CID107002985
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
SMILESCC(C)OCC(C)(N)c1noc(C2CC2(C)C)n1
InChIInChI=1S/C13H23N3O2/c1-8(2)17-7-13(5,14)11-15-10(18-16-11)9-6-12(9,3)4/h8-9H,6-7,14H2,1-5H3
InChIKeyZQCHJAZWDMWSOD-UHFFFAOYSA-N
XLogP2.18
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine?
The IUPAC name of 2-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine (CID 107002985) is 2-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine.
What is the SMILES notation for 2-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine?
The canonical SMILES for 2-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine is CC(C)OCC(C)(N)c1noc(C2CC2(C)C)n1.
What is the InChIKey of 2-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine?
The InChIKey is ZQCHJAZWDMWSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-8(2)17-7-13(5,14)11-15-10(18-16-11)9-6-12(9,3)4/h8-9H,6-7,14H2,1-5H3.
What are the key properties of 2-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine?
2-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine has a molecular weight of 253.35 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine is sourced from PubChem (CID 107002985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).