2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine

C11H21N3O2 — CID 64539204

IUPAC2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine
SMILESCCNC(C)(C)c1nc(C(C)OCC)no1
InChIInChI=1S/C11H21N3O2/c1-6-12-11(4,5)10-13-9(14-16-10)8(3)15-7-2/h8,12H,6-7H2,1-5H3
InChIKeyLEDUUOIVRPMAFT-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.01
Rot. Bonds6

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

2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine (PubChem CID 64539204) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine.

Molecular Properties

Compound Name2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine
PubChem CID64539204
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine
SMILESCCNC(C)(C)c1nc(C(C)OCC)no1
InChIInChI=1S/C11H21N3O2/c1-6-12-11(4,5)10-13-9(14-16-10)8(3)15-7-2/h8,12H,6-7H2,1-5H3
InChIKeyLEDUUOIVRPMAFT-UHFFFAOYSA-N
XLogP2.01
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 116743752
N-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 62819214
N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 64539019
ethyl 5-[2-(ethylamino)propan-2-yl]-1,2,4-oxadiazole-3-carboxylate
CID 112631655
2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 64539003
2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine
CID 64533435
N-ethyl-2-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 62819040
1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 64538990
3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 79200735
N-ethyl-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 62817614
4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 64534643
2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pentan-3-one
CID 64533837

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine?
The IUPAC name of 2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine (CID 64539204) is 2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine.
What is the SMILES notation for 2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine?
The canonical SMILES for 2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine is CCNC(C)(C)c1nc(C(C)OCC)no1.
What is the InChIKey of 2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine?
The InChIKey is LEDUUOIVRPMAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-6-12-11(4,5)10-13-9(14-16-10)8(3)15-7-2/h8,12H,6-7H2,1-5H3.
What are the key properties of 2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine?
2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine has a molecular weight of 227.31 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine is sourced from PubChem (CID 64539204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).