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

C13H15N3O — CID 62879541

IUPAC1-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCC(N)c1noc(C2(c3ccccc3)CC2)n1
InChIInChI=1S/C13H15N3O/c1-9(14)11-15-12(17-16-11)13(7-8-13)10-5-3-2-4-6-10/h2-6,9H,7-8,14H2,1H3
InChIKeyYZVDPPQGWRRMLV-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.17
Rot. Bonds3

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

1-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 62879541) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID62879541
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCC(N)c1noc(C2(c3ccccc3)CC2)n1
InChIInChI=1S/C13H15N3O/c1-9(14)11-15-12(17-16-11)13(7-8-13)10-5-3-2-4-6-10/h2-6,9H,7-8,14H2,1H3
InChIKeyYZVDPPQGWRRMLV-UHFFFAOYSA-N
XLogP2.17
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 1-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 62879541) is 1-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 1-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 1-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]ethanamine is CC(N)c1noc(C2(c3ccccc3)CC2)n1.
What is the InChIKey of 1-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is YZVDPPQGWRRMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9(14)11-15-12(17-16-11)13(7-8-13)10-5-3-2-4-6-10/h2-6,9H,7-8,14H2,1H3.
What are the key properties of 1-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]ethanamine?
1-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 229.28 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 62879541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).