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

C10H17N3O2 — CID 106396022

IUPAC2-(1,2,4-oxadiazol-3-yl)-N-(oxan-3-ylmethyl)ethanamine
SMILESc1nc(CCNCC2CCCOC2)no1
InChIInChI=1S/C10H17N3O2/c1-2-9(7-14-5-1)6-11-4-3-10-12-8-15-13-10/h8-9,11H,1-7H2
InChIKeyXUNZPUSSLPDJBR-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.63
Rot. Bonds5

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

2-(1,2,4-oxadiazol-3-yl)-N-(oxan-3-ylmethyl)ethanamine (PubChem CID 106396022) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-(1,2,4-oxadiazol-3-yl)-N-(oxan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(1,2,4-oxadiazol-3-yl)-N-(oxan-3-ylmethyl)ethanamine
PubChem CID106396022
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-(1,2,4-oxadiazol-3-yl)-N-(oxan-3-ylmethyl)ethanamine
SMILESc1nc(CCNCC2CCCOC2)no1
InChIInChI=1S/C10H17N3O2/c1-2-9(7-14-5-1)6-11-4-3-10-12-8-15-13-10/h8-9,11H,1-7H2
InChIKeyXUNZPUSSLPDJBR-UHFFFAOYSA-N
XLogP0.63
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.63
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-(oxan-3-ylmethyl)ethanamine?
The IUPAC name of 2-(1,2,4-oxadiazol-3-yl)-N-(oxan-3-ylmethyl)ethanamine (CID 106396022) is 2-(1,2,4-oxadiazol-3-yl)-N-(oxan-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(1,2,4-oxadiazol-3-yl)-N-(oxan-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(1,2,4-oxadiazol-3-yl)-N-(oxan-3-ylmethyl)ethanamine is c1nc(CCNCC2CCCOC2)no1.
What is the InChIKey of 2-(1,2,4-oxadiazol-3-yl)-N-(oxan-3-ylmethyl)ethanamine?
The InChIKey is XUNZPUSSLPDJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-2-9(7-14-5-1)6-11-4-3-10-12-8-15-13-10/h8-9,11H,1-7H2.
What are the key properties of 2-(1,2,4-oxadiazol-3-yl)-N-(oxan-3-ylmethyl)ethanamine?
2-(1,2,4-oxadiazol-3-yl)-N-(oxan-3-ylmethyl)ethanamine has a molecular weight of 211.26 g/mol, XLogP of 0.63, 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-(oxan-3-ylmethyl)ethanamine is sourced from PubChem (CID 106396022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).