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

C13H23N3O3 — CID 104637182

IUPAC2-[5-(3-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
SMILESCC(C)OCC(C)(N)c1noc(C2OCCC2C)n1
InChIInChI=1S/C13H23N3O3/c1-8(2)18-7-13(4,14)12-15-11(19-16-12)10-9(3)5-6-17-10/h8-10H,5-7,14H2,1-4H3
InChIKeyKBIFRGSJDXLYPZ-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.77
Rot. Bonds5

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

2-[5-(3-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine (PubChem CID 104637182) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[5-(3-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine.

Molecular Properties

Compound Name2-[5-(3-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
PubChem CID104637182
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name2-[5-(3-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
SMILESCC(C)OCC(C)(N)c1noc(C2OCCC2C)n1
InChIInChI=1S/C13H23N3O3/c1-8(2)18-7-13(4,14)12-15-11(19-16-12)10-9(3)5-6-17-10/h8-10H,5-7,14H2,1-4H3
InChIKeyKBIFRGSJDXLYPZ-UHFFFAOYSA-N
XLogP1.77
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine?
The IUPAC name of 2-[5-(3-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine (CID 104637182) is 2-[5-(3-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine.
What is the SMILES notation for 2-[5-(3-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine?
The canonical SMILES for 2-[5-(3-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine is CC(C)OCC(C)(N)c1noc(C2OCCC2C)n1.
What is the InChIKey of 2-[5-(3-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine?
The InChIKey is KBIFRGSJDXLYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-8(2)18-7-13(4,14)12-15-11(19-16-12)10-9(3)5-6-17-10/h8-10H,5-7,14H2,1-4H3.
What are the key properties of 2-[5-(3-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine?
2-[5-(3-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine has a molecular weight of 269.34 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine is sourced from PubChem (CID 104637182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).