3-(1,2,4-oxadiazol-3-ylmethoxy)-N-propan-2-ylpropan-1-amine

C9H17N3O2 — CID 62341453

IUPAC3-(1,2,4-oxadiazol-3-ylmethoxy)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCOCc1ncon1
InChIInChI=1S/C9H17N3O2/c1-8(2)10-4-3-5-13-6-9-11-7-14-12-9/h7-8,10H,3-6H2,1-2H3
InChIKeyGNZBQEPCLQWBQT-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.97
Rot. Bonds7

About 3-(1,2,4-oxadiazol-3-ylmethoxy)-N-propan-2-ylpropan-1-amine

3-(1,2,4-oxadiazol-3-ylmethoxy)-N-propan-2-ylpropan-1-amine (PubChem CID 62341453) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-(1,2,4-oxadiazol-3-ylmethoxy)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(1,2,4-oxadiazol-3-ylmethoxy)-N-propan-2-ylpropan-1-amine
PubChem CID62341453
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name3-(1,2,4-oxadiazol-3-ylmethoxy)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCOCc1ncon1
InChIInChI=1S/C9H17N3O2/c1-8(2)10-4-3-5-13-6-9-11-7-14-12-9/h7-8,10H,3-6H2,1-2H3
InChIKeyGNZBQEPCLQWBQT-UHFFFAOYSA-N
XLogP0.97
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.97
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-(1,2,4-oxadiazol-3-ylmethoxy)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(1,2,4-oxadiazol-3-ylmethoxy)-N-propan-2-ylpropan-1-amine (CID 62341453) is 3-(1,2,4-oxadiazol-3-ylmethoxy)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(1,2,4-oxadiazol-3-ylmethoxy)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(1,2,4-oxadiazol-3-ylmethoxy)-N-propan-2-ylpropan-1-amine is CC(C)NCCCOCc1ncon1.
What is the InChIKey of 3-(1,2,4-oxadiazol-3-ylmethoxy)-N-propan-2-ylpropan-1-amine?
The InChIKey is GNZBQEPCLQWBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-8(2)10-4-3-5-13-6-9-11-7-14-12-9/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 3-(1,2,4-oxadiazol-3-ylmethoxy)-N-propan-2-ylpropan-1-amine?
3-(1,2,4-oxadiazol-3-ylmethoxy)-N-propan-2-ylpropan-1-amine has a molecular weight of 199.25 g/mol, XLogP of 0.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,4-oxadiazol-3-ylmethoxy)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 62341453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).