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

C9H17N3O2 — CID 106394819

IUPAC3-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-2-amine
SMILESCOC(C)C(C)NCCc1ncno1
InChIInChI=1S/C9H17N3O2/c1-7(8(2)13-3)10-5-4-9-11-6-12-14-9/h6-8,10H,4-5H2,1-3H3
InChIKeyKYHMSLLLZPCNCI-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.63
Rot. Bonds6

About 3-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-2-amine

3-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-2-amine (PubChem CID 106394819) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-2-amine.

Molecular Properties

Compound Name3-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-2-amine
PubChem CID106394819
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name3-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-2-amine
SMILESCOC(C)C(C)NCCc1ncno1
InChIInChI=1S/C9H17N3O2/c1-7(8(2)13-3)10-5-4-9-11-6-12-14-9/h6-8,10H,4-5H2,1-3H3
InChIKeyKYHMSLLLZPCNCI-UHFFFAOYSA-N
XLogP0.63
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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 3-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-2-amine?
The IUPAC name of 3-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-2-amine (CID 106394819) is 3-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-2-amine.
What is the SMILES notation for 3-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-2-amine?
The canonical SMILES for 3-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-2-amine is COC(C)C(C)NCCc1ncno1.
What is the InChIKey of 3-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-2-amine?
The InChIKey is KYHMSLLLZPCNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-7(8(2)13-3)10-5-4-9-11-6-12-14-9/h6-8,10H,4-5H2,1-3H3.
What are the key properties of 3-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-2-amine?
3-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, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-2-amine is sourced from PubChem (CID 106394819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).