5-(2-propoxyethyl)-1,3,4-oxadiazol-2-amine

C7H13N3O2 — CID 62715106

IUPAC5-(2-propoxyethyl)-1,3,4-oxadiazol-2-amine
SMILESCCCOCCc1nnc(N)o1
InChIInChI=1S/C7H13N3O2/c1-2-4-11-5-3-6-9-10-7(8)12-6/h2-5H2,1H3,(H2,8,10)
InChIKeyULMFPTLLENEDKW-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.62
Rot. Bonds5

About 5-(2-propoxyethyl)-1,3,4-oxadiazol-2-amine

5-(2-propoxyethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 62715106) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is 5-(2-propoxyethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-propoxyethyl)-1,3,4-oxadiazol-2-amine
PubChem CID62715106
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name5-(2-propoxyethyl)-1,3,4-oxadiazol-2-amine
SMILESCCCOCCc1nnc(N)o1
InChIInChI=1S/C7H13N3O2/c1-2-4-11-5-3-6-9-10-7(8)12-6/h2-5H2,1H3,(H2,8,10)
InChIKeyULMFPTLLENEDKW-UHFFFAOYSA-N
XLogP0.62
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.62
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 5-(2-propoxyethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-propoxyethyl)-1,3,4-oxadiazol-2-amine (CID 62715106) is 5-(2-propoxyethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-propoxyethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-propoxyethyl)-1,3,4-oxadiazol-2-amine is CCCOCCc1nnc(N)o1.
What is the InChIKey of 5-(2-propoxyethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is ULMFPTLLENEDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-2-4-11-5-3-6-9-10-7(8)12-6/h2-5H2,1H3,(H2,8,10).
What are the key properties of 5-(2-propoxyethyl)-1,3,4-oxadiazol-2-amine?
5-(2-propoxyethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 171.20 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-propoxyethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 62715106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).