2-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]butan-2-amine

C9H17N3O2 — CID 61324063

IUPAC2-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
SMILESCCOCc1nc(C(C)(N)CC)no1
InChIInChI=1S/C9H17N3O2/c1-4-9(3,10)8-11-7(14-12-8)6-13-5-2/h4-6,10H2,1-3H3
InChIKeyWPHUPZLTPBYVEP-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.19
Rot. Bonds5

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

2-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]butan-2-amine (PubChem CID 61324063) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]butan-2-amine.

Molecular Properties

Compound Name2-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
PubChem CID61324063
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name2-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
SMILESCCOCc1nc(C(C)(N)CC)no1
InChIInChI=1S/C9H17N3O2/c1-4-9(3,10)8-11-7(14-12-8)6-13-5-2/h4-6,10H2,1-3H3
InChIKeyWPHUPZLTPBYVEP-UHFFFAOYSA-N
XLogP1.19
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]butan-2-amine?
The IUPAC name of 2-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]butan-2-amine (CID 61324063) is 2-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]butan-2-amine.
What is the SMILES notation for 2-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]butan-2-amine?
The canonical SMILES for 2-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]butan-2-amine is CCOCc1nc(C(C)(N)CC)no1.
What is the InChIKey of 2-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]butan-2-amine?
The InChIKey is WPHUPZLTPBYVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-4-9(3,10)8-11-7(14-12-8)6-13-5-2/h4-6,10H2,1-3H3.
What are the key properties of 2-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]butan-2-amine?
2-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]butan-2-amine has a molecular weight of 199.25 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]butan-2-amine is sourced from PubChem (CID 61324063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).