[5-(2-pyrrolidin-1-ylethoxymethyl)-1,2-oxazol-3-yl]methanamine

C11H19N3O2 — CID 62459478

IUPAC[5-(2-pyrrolidin-1-ylethoxymethyl)-1,2-oxazol-3-yl]methanamine
SMILESNCc1cc(COCCN2CCCC2)on1
InChIInChI=1S/C11H19N3O2/c12-8-10-7-11(16-13-10)9-15-6-5-14-3-1-2-4-14/h7H,1-6,8-9,12H2
InChIKeyWZVCKBOSNZXSJB-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.75
Rot. Bonds6

About [5-(2-pyrrolidin-1-ylethoxymethyl)-1,2-oxazol-3-yl]methanamine

[5-(2-pyrrolidin-1-ylethoxymethyl)-1,2-oxazol-3-yl]methanamine (PubChem CID 62459478) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is [5-(2-pyrrolidin-1-ylethoxymethyl)-1,2-oxazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(2-pyrrolidin-1-ylethoxymethyl)-1,2-oxazol-3-yl]methanamine
PubChem CID62459478
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name[5-(2-pyrrolidin-1-ylethoxymethyl)-1,2-oxazol-3-yl]methanamine
SMILESNCc1cc(COCCN2CCCC2)on1
InChIInChI=1S/C11H19N3O2/c12-8-10-7-11(16-13-10)9-15-6-5-14-3-1-2-4-14/h7H,1-6,8-9,12H2
InChIKeyWZVCKBOSNZXSJB-UHFFFAOYSA-N
XLogP0.75
TPSA64.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.75
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 [5-(2-pyrrolidin-1-ylethoxymethyl)-1,2-oxazol-3-yl]methanamine?
The IUPAC name of [5-(2-pyrrolidin-1-ylethoxymethyl)-1,2-oxazol-3-yl]methanamine (CID 62459478) is [5-(2-pyrrolidin-1-ylethoxymethyl)-1,2-oxazol-3-yl]methanamine.
What is the SMILES notation for [5-(2-pyrrolidin-1-ylethoxymethyl)-1,2-oxazol-3-yl]methanamine?
The canonical SMILES for [5-(2-pyrrolidin-1-ylethoxymethyl)-1,2-oxazol-3-yl]methanamine is NCc1cc(COCCN2CCCC2)on1.
What is the InChIKey of [5-(2-pyrrolidin-1-ylethoxymethyl)-1,2-oxazol-3-yl]methanamine?
The InChIKey is WZVCKBOSNZXSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c12-8-10-7-11(16-13-10)9-15-6-5-14-3-1-2-4-14/h7H,1-6,8-9,12H2.
What are the key properties of [5-(2-pyrrolidin-1-ylethoxymethyl)-1,2-oxazol-3-yl]methanamine?
[5-(2-pyrrolidin-1-ylethoxymethyl)-1,2-oxazol-3-yl]methanamine has a molecular weight of 225.29 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-pyrrolidin-1-ylethoxymethyl)-1,2-oxazol-3-yl]methanamine is sourced from PubChem (CID 62459478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).