2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine

C13H23N3O3 — CID 116742284

IUPAC2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
SMILESCCOC1(c2noc(C(C)(C)NC)n2)CCOCC1
InChIInChI=1S/C13H23N3O3/c1-5-18-13(6-8-17-9-7-13)10-15-11(19-16-10)12(2,3)14-4/h14H,5-9H2,1-4H3
InChIKeyUUOBREPOXQLNPI-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.57
Rot. Bonds5

About 2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine

2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine (PubChem CID 116742284) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
PubChem CID116742284
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
SMILESCCOC1(c2noc(C(C)(C)NC)n2)CCOCC1
InChIInChI=1S/C13H23N3O3/c1-5-18-13(6-8-17-9-7-13)10-15-11(19-16-10)12(2,3)14-4/h14H,5-9H2,1-4H3
InChIKeyUUOBREPOXQLNPI-UHFFFAOYSA-N
XLogP1.57
TPSA69.41 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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine?
The IUPAC name of 2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine (CID 116742284) is 2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine?
The canonical SMILES for 2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine is CCOC1(c2noc(C(C)(C)NC)n2)CCOCC1.
What is the InChIKey of 2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine?
The InChIKey is UUOBREPOXQLNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-5-18-13(6-8-17-9-7-13)10-15-11(19-16-10)12(2,3)14-4/h14H,5-9H2,1-4H3.
What are the key properties of 2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine?
2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine has a molecular weight of 269.34 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 116742284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).