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

C8H14N4O — CID 103437308

IUPAC2-N-(1-ethylcyclobutyl)-1,3,4-oxadiazole-2,5-diamine
SMILESCCC1(Nc2nnc(N)o2)CCC1
InChIInChI=1S/C8H14N4O/c1-2-8(4-3-5-8)10-7-12-11-6(9)13-7/h2-5H2,1H3,(H2,9,11)(H,10,12)
InChIKeyJWHVKKHVEBXHKV-UHFFFAOYSA-N
MW182.23 g/mol
LogP1.40
Rot. Bonds3

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

2-N-(1-ethylcyclobutyl)-1,3,4-oxadiazole-2,5-diamine (PubChem CID 103437308) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-N-(1-ethylcyclobutyl)-1,3,4-oxadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(1-ethylcyclobutyl)-1,3,4-oxadiazole-2,5-diamine
PubChem CID103437308
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name2-N-(1-ethylcyclobutyl)-1,3,4-oxadiazole-2,5-diamine
SMILESCCC1(Nc2nnc(N)o2)CCC1
InChIInChI=1S/C8H14N4O/c1-2-8(4-3-5-8)10-7-12-11-6(9)13-7/h2-5H2,1H3,(H2,9,11)(H,10,12)
InChIKeyJWHVKKHVEBXHKV-UHFFFAOYSA-N
XLogP1.40
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1-ethylcyclobutyl)-1,3,4-oxadiazole-2,5-diamine?
The IUPAC name of 2-N-(1-ethylcyclobutyl)-1,3,4-oxadiazole-2,5-diamine (CID 103437308) is 2-N-(1-ethylcyclobutyl)-1,3,4-oxadiazole-2,5-diamine.
What is the SMILES notation for 2-N-(1-ethylcyclobutyl)-1,3,4-oxadiazole-2,5-diamine?
The canonical SMILES for 2-N-(1-ethylcyclobutyl)-1,3,4-oxadiazole-2,5-diamine is CCC1(Nc2nnc(N)o2)CCC1.
What is the InChIKey of 2-N-(1-ethylcyclobutyl)-1,3,4-oxadiazole-2,5-diamine?
The InChIKey is JWHVKKHVEBXHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-2-8(4-3-5-8)10-7-12-11-6(9)13-7/h2-5H2,1H3,(H2,9,11)(H,10,12).
What are the key properties of 2-N-(1-ethylcyclobutyl)-1,3,4-oxadiazole-2,5-diamine?
2-N-(1-ethylcyclobutyl)-1,3,4-oxadiazole-2,5-diamine has a molecular weight of 182.23 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-ethylcyclobutyl)-1,3,4-oxadiazole-2,5-diamine is sourced from PubChem (CID 103437308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).