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

C11H21N3O2 — CID 116733624

IUPAC1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
SMILESCCOC(C)(C)c1noc(CC(C)NC)n1
InChIInChI=1S/C11H21N3O2/c1-6-15-11(3,4)10-13-9(16-14-10)7-8(2)12-5/h8,12H,6-7H2,1-5H3
InChIKeySGCSZICALWXFIW-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.49
Rot. Bonds6

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

1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine (PubChem CID 116733624) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
PubChem CID116733624
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
SMILESCCOC(C)(C)c1noc(CC(C)NC)n1
InChIInChI=1S/C11H21N3O2/c1-6-15-11(3,4)10-13-9(16-14-10)7-8(2)12-5/h8,12H,6-7H2,1-5H3
InChIKeySGCSZICALWXFIW-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 116781044
1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 116704420
1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethyl-3-methylbutan-2-amine
CID 116733616
1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethyl-4-methylpentan-2-amine
CID 116733645
1-cyclopropyl-2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 116732991
4-[1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-yl]aniline
CID 116704439
2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]acetonitrile
CID 106527167
1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 116704581
4-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 79195004
1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 116732728
N-[(2R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-2-methylpropan-2-amine
CID 59777386
1-[[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 116704464

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine (CID 116733624) is 1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine is CCOC(C)(C)c1noc(CC(C)NC)n1.
What is the InChIKey of 1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine?
The InChIKey is SGCSZICALWXFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-6-15-11(3,4)10-13-9(16-14-10)7-8(2)12-5/h8,12H,6-7H2,1-5H3.
What are the key properties of 1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine?
1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine has a molecular weight of 227.31 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 116733624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).