2-[3-methyl-5-(1-methylpyrrolidin-2-yl)-1,2-oxazol-4-yl]ethanamine

C11H19N3O — CID 105463249

IUPAC2-[3-methyl-5-(1-methylpyrrolidin-2-yl)-1,2-oxazol-4-yl]ethanamine
SMILESCc1noc(C2CCCN2C)c1CCN
InChIInChI=1S/C11H19N3O/c1-8-9(5-6-12)11(15-13-8)10-4-3-7-14(10)2/h10H,3-7,12H2,1-2H3
InChIKeyXUTLWEBKRQNDCC-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.25
Rot. Bonds3

About 2-[3-methyl-5-(1-methylpyrrolidin-2-yl)-1,2-oxazol-4-yl]ethanamine

2-[3-methyl-5-(1-methylpyrrolidin-2-yl)-1,2-oxazol-4-yl]ethanamine (PubChem CID 105463249) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[3-methyl-5-(1-methylpyrrolidin-2-yl)-1,2-oxazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[3-methyl-5-(1-methylpyrrolidin-2-yl)-1,2-oxazol-4-yl]ethanamine
PubChem CID105463249
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-[3-methyl-5-(1-methylpyrrolidin-2-yl)-1,2-oxazol-4-yl]ethanamine
SMILESCc1noc(C2CCCN2C)c1CCN
InChIInChI=1S/C11H19N3O/c1-8-9(5-6-12)11(15-13-8)10-4-3-7-14(10)2/h10H,3-7,12H2,1-2H3
InChIKeyXUTLWEBKRQNDCC-UHFFFAOYSA-N
XLogP1.25
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-5-(1-methylpyrrolidin-2-yl)-1,2-oxazol-4-yl]ethanamine?
The IUPAC name of 2-[3-methyl-5-(1-methylpyrrolidin-2-yl)-1,2-oxazol-4-yl]ethanamine (CID 105463249) is 2-[3-methyl-5-(1-methylpyrrolidin-2-yl)-1,2-oxazol-4-yl]ethanamine.
What is the SMILES notation for 2-[3-methyl-5-(1-methylpyrrolidin-2-yl)-1,2-oxazol-4-yl]ethanamine?
The canonical SMILES for 2-[3-methyl-5-(1-methylpyrrolidin-2-yl)-1,2-oxazol-4-yl]ethanamine is Cc1noc(C2CCCN2C)c1CCN.
What is the InChIKey of 2-[3-methyl-5-(1-methylpyrrolidin-2-yl)-1,2-oxazol-4-yl]ethanamine?
The InChIKey is XUTLWEBKRQNDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8-9(5-6-12)11(15-13-8)10-4-3-7-14(10)2/h10H,3-7,12H2,1-2H3.
What are the key properties of 2-[3-methyl-5-(1-methylpyrrolidin-2-yl)-1,2-oxazol-4-yl]ethanamine?
2-[3-methyl-5-(1-methylpyrrolidin-2-yl)-1,2-oxazol-4-yl]ethanamine has a molecular weight of 209.29 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-5-(1-methylpyrrolidin-2-yl)-1,2-oxazol-4-yl]ethanamine is sourced from PubChem (CID 105463249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).