2-N-ethyl-2-N-(1-methoxypropan-2-yl)-1,3,4-oxadiazole-2,5-diamine

C8H16N4O2 — CID 103436732

IUPAC2-N-ethyl-2-N-(1-methoxypropan-2-yl)-1,3,4-oxadiazole-2,5-diamine
SMILESCCN(c1nnc(N)o1)C(C)COC
InChIInChI=1S/C8H16N4O2/c1-4-12(6(2)5-13-3)8-11-10-7(9)14-8/h6H,4-5H2,1-3H3,(H2,9,10)
InChIKeyGADQTWFPFVEZQD-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.51
Rot. Bonds5

About 2-N-ethyl-2-N-(1-methoxypropan-2-yl)-1,3,4-oxadiazole-2,5-diamine

2-N-ethyl-2-N-(1-methoxypropan-2-yl)-1,3,4-oxadiazole-2,5-diamine (PubChem CID 103436732) has the molecular formula C8H16N4O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-N-ethyl-2-N-(1-methoxypropan-2-yl)-1,3,4-oxadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-(1-methoxypropan-2-yl)-1,3,4-oxadiazole-2,5-diamine
PubChem CID103436732
Molecular FormulaC8H16N4O2
Molecular Weight200.24 g/mol
Exact Mass200.13
IUPAC Name2-N-ethyl-2-N-(1-methoxypropan-2-yl)-1,3,4-oxadiazole-2,5-diamine
SMILESCCN(c1nnc(N)o1)C(C)COC
InChIInChI=1S/C8H16N4O2/c1-4-12(6(2)5-13-3)8-11-10-7(9)14-8/h6H,4-5H2,1-3H3,(H2,9,10)
InChIKeyGADQTWFPFVEZQD-UHFFFAOYSA-N
XLogP0.51
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-(1-methoxypropan-2-yl)-1,3,4-oxadiazole-2,5-diamine?
The IUPAC name of 2-N-ethyl-2-N-(1-methoxypropan-2-yl)-1,3,4-oxadiazole-2,5-diamine (CID 103436732) is 2-N-ethyl-2-N-(1-methoxypropan-2-yl)-1,3,4-oxadiazole-2,5-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-(1-methoxypropan-2-yl)-1,3,4-oxadiazole-2,5-diamine?
The canonical SMILES for 2-N-ethyl-2-N-(1-methoxypropan-2-yl)-1,3,4-oxadiazole-2,5-diamine is CCN(c1nnc(N)o1)C(C)COC.
What is the InChIKey of 2-N-ethyl-2-N-(1-methoxypropan-2-yl)-1,3,4-oxadiazole-2,5-diamine?
The InChIKey is GADQTWFPFVEZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2/c1-4-12(6(2)5-13-3)8-11-10-7(9)14-8/h6H,4-5H2,1-3H3,(H2,9,10).
What are the key properties of 2-N-ethyl-2-N-(1-methoxypropan-2-yl)-1,3,4-oxadiazole-2,5-diamine?
2-N-ethyl-2-N-(1-methoxypropan-2-yl)-1,3,4-oxadiazole-2,5-diamine has a molecular weight of 200.24 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-(1-methoxypropan-2-yl)-1,3,4-oxadiazole-2,5-diamine is sourced from PubChem (CID 103436732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).