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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Related Compounds

4-(fluoromethyl)-2-pyrrolidin-3-yl-1,3-oxazole
CID 84765750
2-(2-cyclopentyl-1,3-oxazol-4-yl)ethanamine
CID 115015683
2-(2-pyrrolidin-3-yl-1,3-oxazol-4-yl)acetaldehyde
CID 115082035
4-benzyl-2-pyrrolidin-3-yl-1,3-oxazole
CID 115036792
2-(2-pyrrolidin-3-yl-1,3-thiazol-4-yl)ethanamine
CID 115087742
4-(difluoromethyl)-2-pyrrolidin-3-yl-1,3-oxazole
CID 84770649
4-(oxan-4-yl)-2-pyrrolidin-3-yl-1,3-oxazole
CID 115033401
4-benzyl-2-piperidin-3-yl-1,3-oxazole
CID 115044768
3-[2-(thian-4-yl)-1,3-oxazol-4-yl]propan-1-amine
CID 115035817
2-(4-piperidin-4-yl-1,3-oxazol-2-yl)ethanamine
CID 115020320
1-(2-piperidin-4-yl-1,3-oxazol-4-yl)propan-2-one
CID 115082176
4-(oxolan-3-yl)-2-pyrrolidin-3-yl-1,3-oxazole
CID 115025819

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).