5-[(5-amino-1,3,4-oxadiazol-2-yl)-methylamino]pentan-1-ol

C8H16N4O2 — CID 107207671

IUPAC5-[(5-amino-1,3,4-oxadiazol-2-yl)-methylamino]pentan-1-ol
SMILESCN(CCCCCO)c1nnc(N)o1
InChIInChI=1S/C8H16N4O2/c1-12(5-3-2-4-6-13)8-11-10-7(9)14-8/h13H,2-6H2,1H3,(H2,9,10)
InChIKeyVEUVXVQPTYJJHO-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.25
Rot. Bonds6

About 5-[(5-amino-1,3,4-oxadiazol-2-yl)-methylamino]pentan-1-ol

5-[(5-amino-1,3,4-oxadiazol-2-yl)-methylamino]pentan-1-ol (PubChem CID 107207671) has the molecular formula C8H16N4O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 5-[(5-amino-1,3,4-oxadiazol-2-yl)-methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[(5-amino-1,3,4-oxadiazol-2-yl)-methylamino]pentan-1-ol
PubChem CID107207671
Molecular FormulaC8H16N4O2
Molecular Weight200.24 g/mol
Exact Mass200.13
IUPAC Name5-[(5-amino-1,3,4-oxadiazol-2-yl)-methylamino]pentan-1-ol
SMILESCN(CCCCCO)c1nnc(N)o1
InChIInChI=1S/C8H16N4O2/c1-12(5-3-2-4-6-13)8-11-10-7(9)14-8/h13H,2-6H2,1H3,(H2,9,10)
InChIKeyVEUVXVQPTYJJHO-UHFFFAOYSA-N
XLogP0.25
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.25
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 5-[(5-amino-1,3,4-oxadiazol-2-yl)-methylamino]pentan-1-ol?
The IUPAC name of 5-[(5-amino-1,3,4-oxadiazol-2-yl)-methylamino]pentan-1-ol (CID 107207671) is 5-[(5-amino-1,3,4-oxadiazol-2-yl)-methylamino]pentan-1-ol.
What is the SMILES notation for 5-[(5-amino-1,3,4-oxadiazol-2-yl)-methylamino]pentan-1-ol?
The canonical SMILES for 5-[(5-amino-1,3,4-oxadiazol-2-yl)-methylamino]pentan-1-ol is CN(CCCCCO)c1nnc(N)o1.
What is the InChIKey of 5-[(5-amino-1,3,4-oxadiazol-2-yl)-methylamino]pentan-1-ol?
The InChIKey is VEUVXVQPTYJJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2/c1-12(5-3-2-4-6-13)8-11-10-7(9)14-8/h13H,2-6H2,1H3,(H2,9,10).
What are the key properties of 5-[(5-amino-1,3,4-oxadiazol-2-yl)-methylamino]pentan-1-ol?
5-[(5-amino-1,3,4-oxadiazol-2-yl)-methylamino]pentan-1-ol has a molecular weight of 200.24 g/mol, XLogP of 0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-amino-1,3,4-oxadiazol-2-yl)-methylamino]pentan-1-ol is sourced from PubChem (CID 107207671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).