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

C8H16N4O2 — CID 103436903

IUPAC2-N-(2-butoxyethyl)-1,3,4-oxadiazole-2,5-diamine
SMILESCCCCOCCNc1nnc(N)o1
InChIInChI=1S/C8H16N4O2/c1-2-3-5-13-6-4-10-8-12-11-7(9)14-8/h2-6H2,1H3,(H2,9,11)(H,10,12)
InChIKeySMNZXZHJZBKTJT-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.88
Rot. Bonds7

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

2-N-(2-butoxyethyl)-1,3,4-oxadiazole-2,5-diamine (PubChem CID 103436903) has the molecular formula C8H16N4O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-N-(2-butoxyethyl)-1,3,4-oxadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(2-butoxyethyl)-1,3,4-oxadiazole-2,5-diamine
PubChem CID103436903
Molecular FormulaC8H16N4O2
Molecular Weight200.24 g/mol
Exact Mass200.13
IUPAC Name2-N-(2-butoxyethyl)-1,3,4-oxadiazole-2,5-diamine
SMILESCCCCOCCNc1nnc(N)o1
InChIInChI=1S/C8H16N4O2/c1-2-3-5-13-6-4-10-8-12-11-7(9)14-8/h2-6H2,1H3,(H2,9,11)(H,10,12)
InChIKeySMNZXZHJZBKTJT-UHFFFAOYSA-N
XLogP0.88
TPSA86.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.88
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-butoxyethyl)-1,3,4-oxadiazole-2,5-diamine?
The IUPAC name of 2-N-(2-butoxyethyl)-1,3,4-oxadiazole-2,5-diamine (CID 103436903) is 2-N-(2-butoxyethyl)-1,3,4-oxadiazole-2,5-diamine.
What is the SMILES notation for 2-N-(2-butoxyethyl)-1,3,4-oxadiazole-2,5-diamine?
The canonical SMILES for 2-N-(2-butoxyethyl)-1,3,4-oxadiazole-2,5-diamine is CCCCOCCNc1nnc(N)o1.
What is the InChIKey of 2-N-(2-butoxyethyl)-1,3,4-oxadiazole-2,5-diamine?
The InChIKey is SMNZXZHJZBKTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2/c1-2-3-5-13-6-4-10-8-12-11-7(9)14-8/h2-6H2,1H3,(H2,9,11)(H,10,12).
What are the key properties of 2-N-(2-butoxyethyl)-1,3,4-oxadiazole-2,5-diamine?
2-N-(2-butoxyethyl)-1,3,4-oxadiazole-2,5-diamine has a molecular weight of 200.24 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-butoxyethyl)-1,3,4-oxadiazole-2,5-diamine is sourced from PubChem (CID 103436903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).