1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-amine

C12H15N3OS — CID 55029906

IUPAC1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-amine
SMILESNC1CCN(Cc2cc(-c3cccs3)on2)C1
InChIInChI=1S/C12H15N3OS/c13-9-3-4-15(7-9)8-10-6-11(16-14-10)12-2-1-5-17-12/h1-2,5-6,9H,3-4,7-8,13H2
InChIKeyFVOWUJJYJGZVQF-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.94
Rot. Bonds3

About 1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-amine

1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-amine (PubChem CID 55029906) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-amine
PubChem CID55029906
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-amine
SMILESNC1CCN(Cc2cc(-c3cccs3)on2)C1
InChIInChI=1S/C12H15N3OS/c13-9-3-4-15(7-9)8-10-6-11(16-14-10)12-2-1-5-17-12/h1-2,5-6,9H,3-4,7-8,13H2
InChIKeyFVOWUJJYJGZVQF-UHFFFAOYSA-N
XLogP1.94
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of 1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-amine (CID 55029906) is 1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-amine is NC1CCN(Cc2cc(-c3cccs3)on2)C1.
What is the InChIKey of 1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-amine?
The InChIKey is FVOWUJJYJGZVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c13-9-3-4-15(7-9)8-10-6-11(16-14-10)12-2-1-5-17-12/h1-2,5-6,9H,3-4,7-8,13H2.
What are the key properties of 1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-amine?
1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-amine has a molecular weight of 249.34 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 55029906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).