2-propan-2-yloxy-1-[5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazol-3-yl]ethanamine

C14H25N3O2 — CID 104634539

IUPAC2-propan-2-yloxy-1-[5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCC(C)OCC(N)c1noc(C2C(C)(C)C2(C)C)n1
InChIInChI=1S/C14H25N3O2/c1-8(2)18-7-9(15)11-16-12(19-17-11)10-13(3,4)14(10,5)6/h8-10H,7,15H2,1-6H3
InChIKeyVTWINOVSBAPOQE-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.64
Rot. Bonds5

About 2-propan-2-yloxy-1-[5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazol-3-yl]ethanamine

2-propan-2-yloxy-1-[5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 104634539) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-propan-2-yloxy-1-[5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-propan-2-yloxy-1-[5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID104634539
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name2-propan-2-yloxy-1-[5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCC(C)OCC(N)c1noc(C2C(C)(C)C2(C)C)n1
InChIInChI=1S/C14H25N3O2/c1-8(2)18-7-9(15)11-16-12(19-17-11)10-13(3,4)14(10,5)6/h8-10H,7,15H2,1-6H3
InChIKeyVTWINOVSBAPOQE-UHFFFAOYSA-N
XLogP2.64
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-1-[5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 2-propan-2-yloxy-1-[5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 104634539) is 2-propan-2-yloxy-1-[5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 2-propan-2-yloxy-1-[5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 2-propan-2-yloxy-1-[5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazol-3-yl]ethanamine is CC(C)OCC(N)c1noc(C2C(C)(C)C2(C)C)n1.
What is the InChIKey of 2-propan-2-yloxy-1-[5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is VTWINOVSBAPOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-8(2)18-7-9(15)11-16-12(19-17-11)10-13(3,4)14(10,5)6/h8-10H,7,15H2,1-6H3.
What are the key properties of 2-propan-2-yloxy-1-[5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazol-3-yl]ethanamine?
2-propan-2-yloxy-1-[5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 267.37 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-1-[5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 104634539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).