1-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine

C8H15N3O2 — CID 103581787

IUPAC1-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
SMILESCOCC(C)NCCc1ncno1
InChIInChI=1S/C8H15N3O2/c1-7(5-12-2)9-4-3-8-10-6-11-13-8/h6-7,9H,3-5H2,1-2H3
InChIKeyQTXAJOLMAOKJPM-UHFFFAOYSA-N
MW185.23 g/mol
LogP0.24
Rot. Bonds6

About 1-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine

1-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine (PubChem CID 103581787) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 1-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
PubChem CID103581787
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name1-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
SMILESCOCC(C)NCCc1ncno1
InChIInChI=1S/C8H15N3O2/c1-7(5-12-2)9-4-3-8-10-6-11-13-8/h6-7,9H,3-5H2,1-2H3
InChIKeyQTXAJOLMAOKJPM-UHFFFAOYSA-N
XLogP0.24
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine?
The IUPAC name of 1-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine (CID 103581787) is 1-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine.
What is the SMILES notation for 1-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine?
The canonical SMILES for 1-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine is COCC(C)NCCc1ncno1.
What is the InChIKey of 1-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine?
The InChIKey is QTXAJOLMAOKJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-7(5-12-2)9-4-3-8-10-6-11-13-8/h6-7,9H,3-5H2,1-2H3.
What are the key properties of 1-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine?
1-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine has a molecular weight of 185.23 g/mol, XLogP of 0.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine is sourced from PubChem (CID 103581787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).