1-[5-(2-cyclopentylethyl)-1,3-oxazol-2-yl]-N-methylethanamine

C13H22N2O — CID 65181942

IUPAC1-[5-(2-cyclopentylethyl)-1,3-oxazol-2-yl]-N-methylethanamine
SMILESCNC(C)c1ncc(CCC2CCCC2)o1
InChIInChI=1S/C13H22N2O/c1-10(14-2)13-15-9-12(16-13)8-7-11-5-3-4-6-11/h9-11,14H,3-8H2,1-2H3
InChIKeyFVTGOGRRDVJGMH-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.08
Rot. Bonds5

About 1-[5-(2-cyclopentylethyl)-1,3-oxazol-2-yl]-N-methylethanamine

1-[5-(2-cyclopentylethyl)-1,3-oxazol-2-yl]-N-methylethanamine (PubChem CID 65181942) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-[5-(2-cyclopentylethyl)-1,3-oxazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-(2-cyclopentylethyl)-1,3-oxazol-2-yl]-N-methylethanamine
PubChem CID65181942
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-[5-(2-cyclopentylethyl)-1,3-oxazol-2-yl]-N-methylethanamine
SMILESCNC(C)c1ncc(CCC2CCCC2)o1
InChIInChI=1S/C13H22N2O/c1-10(14-2)13-15-9-12(16-13)8-7-11-5-3-4-6-11/h9-11,14H,3-8H2,1-2H3
InChIKeyFVTGOGRRDVJGMH-UHFFFAOYSA-N
XLogP3.08
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-cyclopentylethyl)-1,3-oxazol-2-yl]-N-methylethanamine?
The IUPAC name of 1-[5-(2-cyclopentylethyl)-1,3-oxazol-2-yl]-N-methylethanamine (CID 65181942) is 1-[5-(2-cyclopentylethyl)-1,3-oxazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[5-(2-cyclopentylethyl)-1,3-oxazol-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[5-(2-cyclopentylethyl)-1,3-oxazol-2-yl]-N-methylethanamine is CNC(C)c1ncc(CCC2CCCC2)o1.
What is the InChIKey of 1-[5-(2-cyclopentylethyl)-1,3-oxazol-2-yl]-N-methylethanamine?
The InChIKey is FVTGOGRRDVJGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10(14-2)13-15-9-12(16-13)8-7-11-5-3-4-6-11/h9-11,14H,3-8H2,1-2H3.
What are the key properties of 1-[5-(2-cyclopentylethyl)-1,3-oxazol-2-yl]-N-methylethanamine?
1-[5-(2-cyclopentylethyl)-1,3-oxazol-2-yl]-N-methylethanamine has a molecular weight of 222.33 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-cyclopentylethyl)-1,3-oxazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 65181942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).