N-[2-(1,2,4-oxadiazol-3-ylmethoxy)ethyl]propan-2-amine

C8H15N3O2 — CID 62342784

IUPACN-[2-(1,2,4-oxadiazol-3-ylmethoxy)ethyl]propan-2-amine
SMILESCC(C)NCCOCc1ncon1
InChIInChI=1S/C8H15N3O2/c1-7(2)9-3-4-12-5-8-10-6-13-11-8/h6-7,9H,3-5H2,1-2H3
InChIKeyGCAMVGIPIXDPCF-UHFFFAOYSA-N
MW185.23 g/mol
LogP0.58
Rot. Bonds6

About N-[2-(1,2,4-oxadiazol-3-ylmethoxy)ethyl]propan-2-amine

N-[2-(1,2,4-oxadiazol-3-ylmethoxy)ethyl]propan-2-amine (PubChem CID 62342784) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is N-[2-(1,2,4-oxadiazol-3-ylmethoxy)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(1,2,4-oxadiazol-3-ylmethoxy)ethyl]propan-2-amine
PubChem CID62342784
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC NameN-[2-(1,2,4-oxadiazol-3-ylmethoxy)ethyl]propan-2-amine
SMILESCC(C)NCCOCc1ncon1
InChIInChI=1S/C8H15N3O2/c1-7(2)9-3-4-12-5-8-10-6-13-11-8/h6-7,9H,3-5H2,1-2H3
InChIKeyGCAMVGIPIXDPCF-UHFFFAOYSA-N
XLogP0.58
TPSA60.18 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 ≤ 50.58
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-(1,2,4-oxadiazol-3-ylmethoxy)ethyl]propan-2-amine?
The IUPAC name of N-[2-(1,2,4-oxadiazol-3-ylmethoxy)ethyl]propan-2-amine (CID 62342784) is N-[2-(1,2,4-oxadiazol-3-ylmethoxy)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(1,2,4-oxadiazol-3-ylmethoxy)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(1,2,4-oxadiazol-3-ylmethoxy)ethyl]propan-2-amine is CC(C)NCCOCc1ncon1.
What is the InChIKey of N-[2-(1,2,4-oxadiazol-3-ylmethoxy)ethyl]propan-2-amine?
The InChIKey is GCAMVGIPIXDPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-7(2)9-3-4-12-5-8-10-6-13-11-8/h6-7,9H,3-5H2,1-2H3.
What are the key properties of N-[2-(1,2,4-oxadiazol-3-ylmethoxy)ethyl]propan-2-amine?
N-[2-(1,2,4-oxadiazol-3-ylmethoxy)ethyl]propan-2-amine has a molecular weight of 185.23 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,4-oxadiazol-3-ylmethoxy)ethyl]propan-2-amine is sourced from PubChem (CID 62342784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).