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

C9H13N3O — CID 130608051

IUPAC2-[5-(cyclopenten-1-yl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESNCCc1noc(C2=CCCC2)n1
InChIInChI=1S/C9H13N3O/c10-6-5-8-11-9(13-12-8)7-3-1-2-4-7/h3H,1-2,4-6,10H2
InChIKeyMPAXLKBPXACHFE-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.14
Rot. Bonds3

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

2-[5-(cyclopenten-1-yl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 130608051) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-[5-(cyclopenten-1-yl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(cyclopenten-1-yl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID130608051
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-[5-(cyclopenten-1-yl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESNCCc1noc(C2=CCCC2)n1
InChIInChI=1S/C9H13N3O/c10-6-5-8-11-9(13-12-8)7-3-1-2-4-7/h3H,1-2,4-6,10H2
InChIKeyMPAXLKBPXACHFE-UHFFFAOYSA-N
XLogP1.14
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(cyclopenten-1-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 2-[5-(cyclopenten-1-yl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 130608051) is 2-[5-(cyclopenten-1-yl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-(cyclopenten-1-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 2-[5-(cyclopenten-1-yl)-1,2,4-oxadiazol-3-yl]ethanamine is NCCc1noc(C2=CCCC2)n1.
What is the InChIKey of 2-[5-(cyclopenten-1-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is MPAXLKBPXACHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c10-6-5-8-11-9(13-12-8)7-3-1-2-4-7/h3H,1-2,4-6,10H2.
What are the key properties of 2-[5-(cyclopenten-1-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
2-[5-(cyclopenten-1-yl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 179.22 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(cyclopenten-1-yl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 130608051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).