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

C8H16N4O — CID 103437353

IUPAC2-N-(2-ethylbutyl)-1,3,4-oxadiazole-2,5-diamine
SMILESCCC(CC)CNc1nnc(N)o1
InChIInChI=1S/C8H16N4O/c1-3-6(4-2)5-10-8-12-11-7(9)13-8/h6H,3-5H2,1-2H3,(H2,9,11)(H,10,12)
InChIKeyNYUPRSCWFAEUQC-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.50
Rot. Bonds5

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

2-N-(2-ethylbutyl)-1,3,4-oxadiazole-2,5-diamine (PubChem CID 103437353) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-N-(2-ethylbutyl)-1,3,4-oxadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(2-ethylbutyl)-1,3,4-oxadiazole-2,5-diamine
PubChem CID103437353
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name2-N-(2-ethylbutyl)-1,3,4-oxadiazole-2,5-diamine
SMILESCCC(CC)CNc1nnc(N)o1
InChIInChI=1S/C8H16N4O/c1-3-6(4-2)5-10-8-12-11-7(9)13-8/h6H,3-5H2,1-2H3,(H2,9,11)(H,10,12)
InChIKeyNYUPRSCWFAEUQC-UHFFFAOYSA-N
XLogP1.50
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-ethylbutyl)-1,3,4-oxadiazole-2,5-diamine?
The IUPAC name of 2-N-(2-ethylbutyl)-1,3,4-oxadiazole-2,5-diamine (CID 103437353) is 2-N-(2-ethylbutyl)-1,3,4-oxadiazole-2,5-diamine.
What is the SMILES notation for 2-N-(2-ethylbutyl)-1,3,4-oxadiazole-2,5-diamine?
The canonical SMILES for 2-N-(2-ethylbutyl)-1,3,4-oxadiazole-2,5-diamine is CCC(CC)CNc1nnc(N)o1.
What is the InChIKey of 2-N-(2-ethylbutyl)-1,3,4-oxadiazole-2,5-diamine?
The InChIKey is NYUPRSCWFAEUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-3-6(4-2)5-10-8-12-11-7(9)13-8/h6H,3-5H2,1-2H3,(H2,9,11)(H,10,12).
What are the key properties of 2-N-(2-ethylbutyl)-1,3,4-oxadiazole-2,5-diamine?
2-N-(2-ethylbutyl)-1,3,4-oxadiazole-2,5-diamine has a molecular weight of 184.24 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-ethylbutyl)-1,3,4-oxadiazole-2,5-diamine is sourced from PubChem (CID 103437353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).