2-methoxy-N-[[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]methyl]ethanamine

C14H24N2O3 — CID 65181971

IUPAC2-methoxy-N-[[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]methyl]ethanamine
SMILESCOCCNCc1ncc(C2C(C)OC(C)C2C)o1
InChIInChI=1S/C14H24N2O3/c1-9-10(2)18-11(3)14(9)12-7-16-13(19-12)8-15-5-6-17-4/h7,9-11,14-15H,5-6,8H2,1-4H3
InChIKeyRAOWOUZHMVQBSJ-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.94
Rot. Bonds6

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

2-methoxy-N-[[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]methyl]ethanamine (PubChem CID 65181971) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-methoxy-N-[[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]methyl]ethanamine
PubChem CID65181971
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-methoxy-N-[[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]methyl]ethanamine
SMILESCOCCNCc1ncc(C2C(C)OC(C)C2C)o1
InChIInChI=1S/C14H24N2O3/c1-9-10(2)18-11(3)14(9)12-7-16-13(19-12)8-15-5-6-17-4/h7,9-11,14-15H,5-6,8H2,1-4H3
InChIKeyRAOWOUZHMVQBSJ-UHFFFAOYSA-N
XLogP1.94
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]methyl]ethanamine (CID 65181971) is 2-methoxy-N-[[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]methyl]ethanamine is COCCNCc1ncc(C2C(C)OC(C)C2C)o1.
What is the InChIKey of 2-methoxy-N-[[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]methyl]ethanamine?
The InChIKey is RAOWOUZHMVQBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-9-10(2)18-11(3)14(9)12-7-16-13(19-12)8-15-5-6-17-4/h7,9-11,14-15H,5-6,8H2,1-4H3.
What are the key properties of 2-methoxy-N-[[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]methyl]ethanamine?
2-methoxy-N-[[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]methyl]ethanamine has a molecular weight of 268.36 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 65181971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).