3-(3-ethoxypentan-3-yl)-N-methyl-1,2,4-oxadiazol-5-amine

C10H19N3O2 — CID 116778214

IUPAC3-(3-ethoxypentan-3-yl)-N-methyl-1,2,4-oxadiazol-5-amine
SMILESCCOC(CC)(CC)c1noc(NC)n1
InChIInChI=1S/C10H19N3O2/c1-5-10(6-2,14-7-3)8-12-9(11-4)15-13-8/h5-7H2,1-4H3,(H,11,12,13)
InChIKeyWNJSKFMULFYRET-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.16
Rot. Bonds6

About 3-(3-ethoxypentan-3-yl)-N-methyl-1,2,4-oxadiazol-5-amine

3-(3-ethoxypentan-3-yl)-N-methyl-1,2,4-oxadiazol-5-amine (PubChem CID 116778214) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-(3-ethoxypentan-3-yl)-N-methyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(3-ethoxypentan-3-yl)-N-methyl-1,2,4-oxadiazol-5-amine
PubChem CID116778214
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name3-(3-ethoxypentan-3-yl)-N-methyl-1,2,4-oxadiazol-5-amine
SMILESCCOC(CC)(CC)c1noc(NC)n1
InChIInChI=1S/C10H19N3O2/c1-5-10(6-2,14-7-3)8-12-9(11-4)15-13-8/h5-7H2,1-4H3,(H,11,12,13)
InChIKeyWNJSKFMULFYRET-UHFFFAOYSA-N
XLogP2.16
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-ethoxybutan-2-yl)-N-methyl-1,2,4-oxadiazol-5-amine
CID 116778204
2-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 116740930
1-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 116780621
1-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 116740982
N-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 116740991
1-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-N-ethylpentan-2-amine
CID 116781080
N-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
CID 116740963
4-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 116740959
1-cyclopropyl-N-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 116740888
4-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine
CID 116740998
3-(3-ethoxypentan-3-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900872
1-amino-3-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol
CID 116741023

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxypentan-3-yl)-N-methyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(3-ethoxypentan-3-yl)-N-methyl-1,2,4-oxadiazol-5-amine (CID 116778214) is 3-(3-ethoxypentan-3-yl)-N-methyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(3-ethoxypentan-3-yl)-N-methyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(3-ethoxypentan-3-yl)-N-methyl-1,2,4-oxadiazol-5-amine is CCOC(CC)(CC)c1noc(NC)n1.
What is the InChIKey of 3-(3-ethoxypentan-3-yl)-N-methyl-1,2,4-oxadiazol-5-amine?
The InChIKey is WNJSKFMULFYRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-5-10(6-2,14-7-3)8-12-9(11-4)15-13-8/h5-7H2,1-4H3,(H,11,12,13).
What are the key properties of 3-(3-ethoxypentan-3-yl)-N-methyl-1,2,4-oxadiazol-5-amine?
3-(3-ethoxypentan-3-yl)-N-methyl-1,2,4-oxadiazol-5-amine has a molecular weight of 213.28 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxypentan-3-yl)-N-methyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 116778214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).