2-N-methyl-2-N-(oxan-4-yl)-1,3,4-oxadiazole-2,5-diamine

C8H14N4O2 — CID 103436686

IUPAC2-N-methyl-2-N-(oxan-4-yl)-1,3,4-oxadiazole-2,5-diamine
SMILESCN(c1nnc(N)o1)C1CCOCC1
InChIInChI=1S/C8H14N4O2/c1-12(6-2-4-13-5-3-6)8-11-10-7(9)14-8/h6H,2-5H2,1H3,(H2,9,10)
InChIKeyRUFRKBRCWZJLAK-UHFFFAOYSA-N
MW198.23 g/mol
LogP0.27
Rot. Bonds2

About 2-N-methyl-2-N-(oxan-4-yl)-1,3,4-oxadiazole-2,5-diamine

2-N-methyl-2-N-(oxan-4-yl)-1,3,4-oxadiazole-2,5-diamine (PubChem CID 103436686) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 2-N-methyl-2-N-(oxan-4-yl)-1,3,4-oxadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(oxan-4-yl)-1,3,4-oxadiazole-2,5-diamine
PubChem CID103436686
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name2-N-methyl-2-N-(oxan-4-yl)-1,3,4-oxadiazole-2,5-diamine
SMILESCN(c1nnc(N)o1)C1CCOCC1
InChIInChI=1S/C8H14N4O2/c1-12(6-2-4-13-5-3-6)8-11-10-7(9)14-8/h6H,2-5H2,1H3,(H2,9,10)
InChIKeyRUFRKBRCWZJLAK-UHFFFAOYSA-N
XLogP0.27
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(oxan-4-yl)-1,3,4-oxadiazole-2,5-diamine?
The IUPAC name of 2-N-methyl-2-N-(oxan-4-yl)-1,3,4-oxadiazole-2,5-diamine (CID 103436686) is 2-N-methyl-2-N-(oxan-4-yl)-1,3,4-oxadiazole-2,5-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(oxan-4-yl)-1,3,4-oxadiazole-2,5-diamine?
The canonical SMILES for 2-N-methyl-2-N-(oxan-4-yl)-1,3,4-oxadiazole-2,5-diamine is CN(c1nnc(N)o1)C1CCOCC1.
What is the InChIKey of 2-N-methyl-2-N-(oxan-4-yl)-1,3,4-oxadiazole-2,5-diamine?
The InChIKey is RUFRKBRCWZJLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-12(6-2-4-13-5-3-6)8-11-10-7(9)14-8/h6H,2-5H2,1H3,(H2,9,10).
What are the key properties of 2-N-methyl-2-N-(oxan-4-yl)-1,3,4-oxadiazole-2,5-diamine?
2-N-methyl-2-N-(oxan-4-yl)-1,3,4-oxadiazole-2,5-diamine has a molecular weight of 198.23 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(oxan-4-yl)-1,3,4-oxadiazole-2,5-diamine is sourced from PubChem (CID 103436686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).