1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-yl]ethanamine

C12H21N3O2 — CID 103976532

IUPAC1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-yl]ethanamine
SMILESCOCc1cc(CN2CCC(C(C)N)C2)no1
InChIInChI=1S/C12H21N3O2/c1-9(13)10-3-4-15(6-10)7-11-5-12(8-16-2)17-14-11/h5,9-10H,3-4,6-8,13H2,1-2H3
InChIKeyXULGMXGOGGIAFU-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.99
Rot. Bonds5

About 1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-yl]ethanamine

1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-yl]ethanamine (PubChem CID 103976532) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-yl]ethanamine
PubChem CID103976532
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-yl]ethanamine
SMILESCOCc1cc(CN2CCC(C(C)N)C2)no1
InChIInChI=1S/C12H21N3O2/c1-9(13)10-3-4-15(6-10)7-11-5-12(8-16-2)17-14-11/h5,9-10H,3-4,6-8,13H2,1-2H3
InChIKeyXULGMXGOGGIAFU-UHFFFAOYSA-N
XLogP0.99
TPSA64.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-yl]ethanamine?
The IUPAC name of 1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-yl]ethanamine (CID 103976532) is 1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-yl]ethanamine is COCc1cc(CN2CCC(C(C)N)C2)no1.
What is the InChIKey of 1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-yl]ethanamine?
The InChIKey is XULGMXGOGGIAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9(13)10-3-4-15(6-10)7-11-5-12(8-16-2)17-14-11/h5,9-10H,3-4,6-8,13H2,1-2H3.
What are the key properties of 1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-yl]ethanamine?
1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-yl]ethanamine has a molecular weight of 239.32 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 103976532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).