2-(2-pyrrolidin-3-yl-1,3-oxazol-4-yl)ethanamine

C9H15N3O — CID 115082091

IUPAC2-(2-pyrrolidin-3-yl-1,3-oxazol-4-yl)ethanamine
SMILESNCCc1coc(C2CCNC2)n1
InChIInChI=1S/C9H15N3O/c10-3-1-8-6-13-9(12-8)7-2-4-11-5-7/h6-7,11H,1-5,10H2
InChIKeyJXLDOENUNLMJIQ-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.25
Rot. Bonds3

About 2-(2-pyrrolidin-3-yl-1,3-oxazol-4-yl)ethanamine

2-(2-pyrrolidin-3-yl-1,3-oxazol-4-yl)ethanamine (PubChem CID 115082091) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-(2-pyrrolidin-3-yl-1,3-oxazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-pyrrolidin-3-yl-1,3-oxazol-4-yl)ethanamine
PubChem CID115082091
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-(2-pyrrolidin-3-yl-1,3-oxazol-4-yl)ethanamine
SMILESNCCc1coc(C2CCNC2)n1
InChIInChI=1S/C9H15N3O/c10-3-1-8-6-13-9(12-8)7-2-4-11-5-7/h6-7,11H,1-5,10H2
InChIKeyJXLDOENUNLMJIQ-UHFFFAOYSA-N
XLogP0.25
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrrolidin-3-yl-1,3-oxazol-4-yl)ethanamine?
The IUPAC name of 2-(2-pyrrolidin-3-yl-1,3-oxazol-4-yl)ethanamine (CID 115082091) is 2-(2-pyrrolidin-3-yl-1,3-oxazol-4-yl)ethanamine.
What is the SMILES notation for 2-(2-pyrrolidin-3-yl-1,3-oxazol-4-yl)ethanamine?
The canonical SMILES for 2-(2-pyrrolidin-3-yl-1,3-oxazol-4-yl)ethanamine is NCCc1coc(C2CCNC2)n1.
What is the InChIKey of 2-(2-pyrrolidin-3-yl-1,3-oxazol-4-yl)ethanamine?
The InChIKey is JXLDOENUNLMJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c10-3-1-8-6-13-9(12-8)7-2-4-11-5-7/h6-7,11H,1-5,10H2.
What are the key properties of 2-(2-pyrrolidin-3-yl-1,3-oxazol-4-yl)ethanamine?
2-(2-pyrrolidin-3-yl-1,3-oxazol-4-yl)ethanamine has a molecular weight of 181.24 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrrolidin-3-yl-1,3-oxazol-4-yl)ethanamine is sourced from PubChem (CID 115082091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).