3-(1-ethoxybutyl)-N-ethyl-1,2,4-oxadiazol-5-amine

C10H19N3O2 — CID 116730902

IUPAC3-(1-ethoxybutyl)-N-ethyl-1,2,4-oxadiazol-5-amine
SMILESCCCC(OCC)c1noc(NCC)n1
InChIInChI=1S/C10H19N3O2/c1-4-7-8(14-6-3)9-12-10(11-5-2)15-13-9/h8H,4-7H2,1-3H3,(H,11,12,13)
InChIKeyOPQSBGCECUHOIL-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.38
Rot. Bonds7

About 3-(1-ethoxybutyl)-N-ethyl-1,2,4-oxadiazol-5-amine

3-(1-ethoxybutyl)-N-ethyl-1,2,4-oxadiazol-5-amine (PubChem CID 116730902) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-(1-ethoxybutyl)-N-ethyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(1-ethoxybutyl)-N-ethyl-1,2,4-oxadiazol-5-amine
PubChem CID116730902
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name3-(1-ethoxybutyl)-N-ethyl-1,2,4-oxadiazol-5-amine
SMILESCCCC(OCC)c1noc(NCC)n1
InChIInChI=1S/C10H19N3O2/c1-4-7-8(14-6-3)9-12-10(11-5-2)15-13-9/h8H,4-7H2,1-3H3,(H,11,12,13)
InChIKeyOPQSBGCECUHOIL-UHFFFAOYSA-N
XLogP2.38
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxybutyl)-N-ethyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(1-ethoxybutyl)-N-ethyl-1,2,4-oxadiazol-5-amine (CID 116730902) is 3-(1-ethoxybutyl)-N-ethyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(1-ethoxybutyl)-N-ethyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(1-ethoxybutyl)-N-ethyl-1,2,4-oxadiazol-5-amine is CCCC(OCC)c1noc(NCC)n1.
What is the InChIKey of 3-(1-ethoxybutyl)-N-ethyl-1,2,4-oxadiazol-5-amine?
The InChIKey is OPQSBGCECUHOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-4-7-8(14-6-3)9-12-10(11-5-2)15-13-9/h8H,4-7H2,1-3H3,(H,11,12,13).
What are the key properties of 3-(1-ethoxybutyl)-N-ethyl-1,2,4-oxadiazol-5-amine?
3-(1-ethoxybutyl)-N-ethyl-1,2,4-oxadiazol-5-amine has a molecular weight of 213.28 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxybutyl)-N-ethyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 116730902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).