3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]propan-1-amine

C8H15N3O2 — CID 62343639

IUPAC3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]propan-1-amine
SMILESCCc1nnc(COCCCN)o1
InChIInChI=1S/C8H15N3O2/c1-2-7-10-11-8(13-7)6-12-5-3-4-9/h2-6,9H2,1H3
InChIKeyVWNOOJILRFRUFO-UHFFFAOYSA-N
MW185.23 g/mol
LogP0.50
Rot. Bonds6

About 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]propan-1-amine

3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]propan-1-amine (PubChem CID 62343639) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]propan-1-amine.

Molecular Properties

Compound Name3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]propan-1-amine
PubChem CID62343639
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]propan-1-amine
SMILESCCc1nnc(COCCCN)o1
InChIInChI=1S/C8H15N3O2/c1-2-7-10-11-8(13-7)6-12-5-3-4-9/h2-6,9H2,1H3
InChIKeyVWNOOJILRFRUFO-UHFFFAOYSA-N
XLogP0.50
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 50.50
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 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]propan-1-amine?
The IUPAC name of 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]propan-1-amine (CID 62343639) is 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]propan-1-amine.
What is the SMILES notation for 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]propan-1-amine?
The canonical SMILES for 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]propan-1-amine is CCc1nnc(COCCCN)o1.
What is the InChIKey of 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]propan-1-amine?
The InChIKey is VWNOOJILRFRUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-2-7-10-11-8(13-7)6-12-5-3-4-9/h2-6,9H2,1H3.
What are the key properties of 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]propan-1-amine?
3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]propan-1-amine has a molecular weight of 185.23 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]propan-1-amine is sourced from PubChem (CID 62343639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).