1-amino-3-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol

C13H25N3O3 — CID 116741023

IUPAC1-amino-3-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol
SMILESCCOC(CC)(CC)c1noc(CC(C)(O)CN)n1
InChIInChI=1S/C13H25N3O3/c1-5-13(6-2,18-7-3)11-15-10(19-16-11)8-12(4,17)9-14/h17H,5-9,14H2,1-4H3
InChIKeyKNKOXICUMUICLU-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.37
Rot. Bonds8

About 1-amino-3-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol

1-amino-3-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol (PubChem CID 116741023) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-amino-3-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol
PubChem CID116741023
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name1-amino-3-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol
SMILESCCOC(CC)(CC)c1noc(CC(C)(O)CN)n1
InChIInChI=1S/C13H25N3O3/c1-5-13(6-2,18-7-3)11-15-10(19-16-11)8-12(4,17)9-14/h17H,5-9,14H2,1-4H3
InChIKeyKNKOXICUMUICLU-UHFFFAOYSA-N
XLogP1.37
TPSA94.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-amino-3-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol with MolForge

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Related Compounds

4-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine
CID 116740998
4-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 116740959
1-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 116740982
2-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 116740930
2-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide
CID 107436718
1-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 116740710
1-amino-3-[3-(3,3-dimethylbutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol
CID 114211204
N-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 116740991
1-cyclopropyl-N-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 116740888
[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 116740577
2-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetonitrile
CID 106526891
N-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
CID 116740963

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-amino-3-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol (CID 116741023) is 1-amino-3-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-amino-3-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-amino-3-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol is CCOC(CC)(CC)c1noc(CC(C)(O)CN)n1.
What is the InChIKey of 1-amino-3-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol?
The InChIKey is KNKOXICUMUICLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-5-13(6-2,18-7-3)11-15-10(19-16-11)8-12(4,17)9-14/h17H,5-9,14H2,1-4H3.
What are the key properties of 1-amino-3-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol?
1-amino-3-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol has a molecular weight of 271.36 g/mol, XLogP of 1.37, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 116741023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).