2-N-(2-cyclopentyloxyethyl)-1,3,4-oxadiazole-2,5-diamine

C9H16N4O2 — CID 103437043

IUPAC2-N-(2-cyclopentyloxyethyl)-1,3,4-oxadiazole-2,5-diamine
SMILESNc1nnc(NCCOC2CCCC2)o1
InChIInChI=1S/C9H16N4O2/c10-8-12-13-9(15-8)11-5-6-14-7-3-1-2-4-7/h7H,1-6H2,(H2,10,12)(H,11,13)
InChIKeyIPNKLMXMAFXPEX-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.02
Rot. Bonds5

About 2-N-(2-cyclopentyloxyethyl)-1,3,4-oxadiazole-2,5-diamine

2-N-(2-cyclopentyloxyethyl)-1,3,4-oxadiazole-2,5-diamine (PubChem CID 103437043) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-N-(2-cyclopentyloxyethyl)-1,3,4-oxadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(2-cyclopentyloxyethyl)-1,3,4-oxadiazole-2,5-diamine
PubChem CID103437043
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name2-N-(2-cyclopentyloxyethyl)-1,3,4-oxadiazole-2,5-diamine
SMILESNc1nnc(NCCOC2CCCC2)o1
InChIInChI=1S/C9H16N4O2/c10-8-12-13-9(15-8)11-5-6-14-7-3-1-2-4-7/h7H,1-6H2,(H2,10,12)(H,11,13)
InChIKeyIPNKLMXMAFXPEX-UHFFFAOYSA-N
XLogP1.02
TPSA86.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-cyclopentyloxyethyl)-1,3,4-oxadiazole-2,5-diamine?
The IUPAC name of 2-N-(2-cyclopentyloxyethyl)-1,3,4-oxadiazole-2,5-diamine (CID 103437043) is 2-N-(2-cyclopentyloxyethyl)-1,3,4-oxadiazole-2,5-diamine.
What is the SMILES notation for 2-N-(2-cyclopentyloxyethyl)-1,3,4-oxadiazole-2,5-diamine?
The canonical SMILES for 2-N-(2-cyclopentyloxyethyl)-1,3,4-oxadiazole-2,5-diamine is Nc1nnc(NCCOC2CCCC2)o1.
What is the InChIKey of 2-N-(2-cyclopentyloxyethyl)-1,3,4-oxadiazole-2,5-diamine?
The InChIKey is IPNKLMXMAFXPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c10-8-12-13-9(15-8)11-5-6-14-7-3-1-2-4-7/h7H,1-6H2,(H2,10,12)(H,11,13).
What are the key properties of 2-N-(2-cyclopentyloxyethyl)-1,3,4-oxadiazole-2,5-diamine?
2-N-(2-cyclopentyloxyethyl)-1,3,4-oxadiazole-2,5-diamine has a molecular weight of 212.25 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-cyclopentyloxyethyl)-1,3,4-oxadiazole-2,5-diamine is sourced from PubChem (CID 103437043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).