1-[5-(2-phenoxyethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

C15H19N3O2 — CID 61352710

IUPAC1-[5-(2-phenoxyethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESNC1(c2noc(CCOc3ccccc3)n2)CCCC1
InChIInChI=1S/C15H19N3O2/c16-15(9-4-5-10-15)14-17-13(20-18-14)8-11-19-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11,16H2
InChIKeyYEUAEXPKZGQOKB-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.42
Rot. Bonds5

About 1-[5-(2-phenoxyethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

1-[5-(2-phenoxyethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (PubChem CID 61352710) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[5-(2-phenoxyethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[5-(2-phenoxyethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
PubChem CID61352710
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-[5-(2-phenoxyethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESNC1(c2noc(CCOc3ccccc3)n2)CCCC1
InChIInChI=1S/C15H19N3O2/c16-15(9-4-5-10-15)14-17-13(20-18-14)8-11-19-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11,16H2
InChIKeyYEUAEXPKZGQOKB-UHFFFAOYSA-N
XLogP2.42
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-phenoxyethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The IUPAC name of 1-[5-(2-phenoxyethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (CID 61352710) is 1-[5-(2-phenoxyethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[5-(2-phenoxyethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[5-(2-phenoxyethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is NC1(c2noc(CCOc3ccccc3)n2)CCCC1.
What is the InChIKey of 1-[5-(2-phenoxyethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The InChIKey is YEUAEXPKZGQOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-15(9-4-5-10-15)14-17-13(20-18-14)8-11-19-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11,16H2.
What are the key properties of 1-[5-(2-phenoxyethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
1-[5-(2-phenoxyethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine has a molecular weight of 273.34 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-phenoxyethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is sourced from PubChem (CID 61352710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).