N-[(5-methyloxolan-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine

C10H17N3O2 — CID 106396299

IUPACN-[(5-methyloxolan-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
SMILESCC1CCC(CNCCc2ncon2)O1
InChIInChI=1S/C10H17N3O2/c1-8-2-3-9(15-8)6-11-5-4-10-12-7-14-13-10/h7-9,11H,2-6H2,1H3
InChIKeyFEPUDHGLDJSWDG-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.77
Rot. Bonds5

About N-[(5-methyloxolan-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine

N-[(5-methyloxolan-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine (PubChem CID 106396299) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-[(5-methyloxolan-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-methyloxolan-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
PubChem CID106396299
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-[(5-methyloxolan-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
SMILESCC1CCC(CNCCc2ncon2)O1
InChIInChI=1S/C10H17N3O2/c1-8-2-3-9(15-8)6-11-5-4-10-12-7-14-13-10/h7-9,11H,2-6H2,1H3
InChIKeyFEPUDHGLDJSWDG-UHFFFAOYSA-N
XLogP0.77
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 ≤ 50.77
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-[(5-methyloxolan-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine?
The IUPAC name of N-[(5-methyloxolan-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine (CID 106396299) is N-[(5-methyloxolan-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine.
What is the SMILES notation for N-[(5-methyloxolan-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine?
The canonical SMILES for N-[(5-methyloxolan-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine is CC1CCC(CNCCc2ncon2)O1.
What is the InChIKey of N-[(5-methyloxolan-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine?
The InChIKey is FEPUDHGLDJSWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-8-2-3-9(15-8)6-11-5-4-10-12-7-14-13-10/h7-9,11H,2-6H2,1H3.
What are the key properties of N-[(5-methyloxolan-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine?
N-[(5-methyloxolan-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine has a molecular weight of 211.26 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyloxolan-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine is sourced from PubChem (CID 106396299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).