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

C7H13N3O2 — CID 61323564

IUPAC1-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCCOCc1nc(C(C)N)no1
InChIInChI=1S/C7H13N3O2/c1-3-11-4-6-9-7(5(2)8)10-12-6/h5H,3-4,8H2,1-2H3
InChIKeyKZAGKWCOPBZRSG-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.63
Rot. Bonds4

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

1-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 61323564) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is 1-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID61323564
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name1-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCCOCc1nc(C(C)N)no1
InChIInChI=1S/C7H13N3O2/c1-3-11-4-6-9-7(5(2)8)10-12-6/h5H,3-4,8H2,1-2H3
InChIKeyKZAGKWCOPBZRSG-UHFFFAOYSA-N
XLogP0.63
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 1-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 61323564) is 1-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 1-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 1-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine is CCOCc1nc(C(C)N)no1.
What is the InChIKey of 1-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is KZAGKWCOPBZRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-3-11-4-6-9-7(5(2)8)10-12-6/h5H,3-4,8H2,1-2H3.
What are the key properties of 1-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
1-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 171.20 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 61323564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).