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

C12H23N3O2 — CID 116740710

IUPAC1-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
SMILESCCOC(C)(CC)c1noc(CC(C)(C)N)n1
InChIInChI=1S/C12H23N3O2/c1-6-12(5,16-7-2)10-14-9(17-15-10)8-11(3,4)13/h6-8,13H2,1-5H3
InChIKeyTUUGUAVTAIRRKS-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.01
Rot. Bonds6

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

1-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine (PubChem CID 116740710) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
PubChem CID116740710
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name1-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
SMILESCCOC(C)(CC)c1noc(CC(C)(C)N)n1
InChIInChI=1S/C12H23N3O2/c1-6-12(5,16-7-2)10-14-9(17-15-10)8-11(3,4)13/h6-8,13H2,1-5H3
InChIKeyTUUGUAVTAIRRKS-UHFFFAOYSA-N
XLogP2.01
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-Dimethyl-3-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 103146017
3-[3-[2-(2,2-Difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2,3-dimethylbutan-2-amine
CID 103146297
1-[3-[2-(2,2-Difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 103146318
2,3-Dimethyl-3-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 103472413
2-[3-(2,2,2-Trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 103472650
3-Methyl-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 103472728
3-[3-(2,2,2-Trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 103472750
2,3-Dimethyl-3-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 103472892
2-[3-(2,2,3,3-Tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 103472994
2-[3-(2,2,3,3-Tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 103473058
3-Methyl-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 103473091
3-[3-(2,2,3,3-Tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 103473105

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine?
The IUPAC name of 1-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine (CID 116740710) is 1-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine?
The canonical SMILES for 1-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine is CCOC(C)(CC)c1noc(CC(C)(C)N)n1.
What is the InChIKey of 1-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine?
The InChIKey is TUUGUAVTAIRRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-6-12(5,16-7-2)10-14-9(17-15-10)8-11(3,4)13/h6-8,13H2,1-5H3.
What are the key properties of 1-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine?
1-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine has a molecular weight of 241.33 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 1-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine is sourced from PubChem (CID 116740710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).