2-(1,2,4-oxadiazol-3-yl)-N-(oxolan-2-ylmethyl)ethanamine

C9H15N3O2 — CID 106395923

IUPAC2-(1,2,4-oxadiazol-3-yl)-N-(oxolan-2-ylmethyl)ethanamine
SMILESc1nc(CCNCC2CCCO2)no1
InChIInChI=1S/C9H15N3O2/c1-2-8(13-5-1)6-10-4-3-9-11-7-14-12-9/h7-8,10H,1-6H2
InChIKeyQMQALBJDMQASDI-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.38
Rot. Bonds5

About 2-(1,2,4-oxadiazol-3-yl)-N-(oxolan-2-ylmethyl)ethanamine

2-(1,2,4-oxadiazol-3-yl)-N-(oxolan-2-ylmethyl)ethanamine (PubChem CID 106395923) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-(1,2,4-oxadiazol-3-yl)-N-(oxolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(1,2,4-oxadiazol-3-yl)-N-(oxolan-2-ylmethyl)ethanamine
PubChem CID106395923
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-(1,2,4-oxadiazol-3-yl)-N-(oxolan-2-ylmethyl)ethanamine
SMILESc1nc(CCNCC2CCCO2)no1
InChIInChI=1S/C9H15N3O2/c1-2-8(13-5-1)6-10-4-3-9-11-7-14-12-9/h7-8,10H,1-6H2
InChIKeyQMQALBJDMQASDI-UHFFFAOYSA-N
XLogP0.38
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.38
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 2-(1,2,4-oxadiazol-3-yl)-N-(oxolan-2-ylmethyl)ethanamine?
The IUPAC name of 2-(1,2,4-oxadiazol-3-yl)-N-(oxolan-2-ylmethyl)ethanamine (CID 106395923) is 2-(1,2,4-oxadiazol-3-yl)-N-(oxolan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(1,2,4-oxadiazol-3-yl)-N-(oxolan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(1,2,4-oxadiazol-3-yl)-N-(oxolan-2-ylmethyl)ethanamine is c1nc(CCNCC2CCCO2)no1.
What is the InChIKey of 2-(1,2,4-oxadiazol-3-yl)-N-(oxolan-2-ylmethyl)ethanamine?
The InChIKey is QMQALBJDMQASDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-2-8(13-5-1)6-10-4-3-9-11-7-14-12-9/h7-8,10H,1-6H2.
What are the key properties of 2-(1,2,4-oxadiazol-3-yl)-N-(oxolan-2-ylmethyl)ethanamine?
2-(1,2,4-oxadiazol-3-yl)-N-(oxolan-2-ylmethyl)ethanamine has a molecular weight of 197.24 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-oxadiazol-3-yl)-N-(oxolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 106395923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).