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

C9H17N3O2 — CID 106394449

IUPAC4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-2-amine
SMILESCOCCC(C)NCCc1ncno1
InChIInChI=1S/C9H17N3O2/c1-8(4-6-13-2)10-5-3-9-11-7-12-14-9/h7-8,10H,3-6H2,1-2H3
InChIKeyJNMJJOSWFZTIDV-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.63
Rot. Bonds7

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

4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-2-amine (PubChem CID 106394449) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-2-amine
PubChem CID106394449
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-2-amine
SMILESCOCCC(C)NCCc1ncno1
InChIInChI=1S/C9H17N3O2/c1-8(4-6-13-2)10-5-3-9-11-7-12-14-9/h7-8,10H,3-6H2,1-2H3
InChIKeyJNMJJOSWFZTIDV-UHFFFAOYSA-N
XLogP0.63
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-2-amine?
The IUPAC name of 4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-2-amine (CID 106394449) is 4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-2-amine.
What is the SMILES notation for 4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-2-amine?
The canonical SMILES for 4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-2-amine is COCCC(C)NCCc1ncno1.
What is the InChIKey of 4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-2-amine?
The InChIKey is JNMJJOSWFZTIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-8(4-6-13-2)10-5-3-9-11-7-12-14-9/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-2-amine?
4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-2-amine has a molecular weight of 199.25 g/mol, XLogP of 0.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-2-amine is sourced from PubChem (CID 106394449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).