N-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine

C5H9N3O2 — CID 126994493

IUPACN-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine
SMILESCOCCNc1nnco1
InChIInChI=1S/C5H9N3O2/c1-9-3-2-6-5-8-7-4-10-5/h4H,2-3H2,1H3,(H,6,8)
InChIKeyZUGKDLUMRCSHSJ-UHFFFAOYSA-N
MW143.15 g/mol
LogP0.13
Rot. Bonds4

About N-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine

N-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 126994493) has the molecular formula C5H9N3O2 and a molecular weight of 143.15 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine
PubChem CID126994493
Molecular FormulaC5H9N3O2
Molecular Weight143.15 g/mol
Exact Mass143.07
IUPAC NameN-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine
SMILESCOCCNc1nnco1
InChIInChI=1S/C5H9N3O2/c1-9-3-2-6-5-8-7-4-10-5/h4H,2-3H2,1H3,(H,6,8)
InChIKeyZUGKDLUMRCSHSJ-UHFFFAOYSA-N
XLogP0.13
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine (CID 126994493) is N-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine is COCCNc1nnco1.
What is the InChIKey of N-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is ZUGKDLUMRCSHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2/c1-9-3-2-6-5-8-7-4-10-5/h4H,2-3H2,1H3,(H,6,8).
What are the key properties of N-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine?
N-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 143.15 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 126994493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).