3-[5-(1,4-dioxan-2-yl)-1,3-oxazol-2-yl]-N-ethylpropan-1-amine

C12H20N2O3 — CID 65186864

IUPAC3-[5-(1,4-dioxan-2-yl)-1,3-oxazol-2-yl]-N-ethylpropan-1-amine
SMILESCCNCCCc1ncc(C2COCCO2)o1
InChIInChI=1S/C12H20N2O3/c1-2-13-5-3-4-12-14-8-10(17-12)11-9-15-6-7-16-11/h8,11,13H,2-7,9H2,1H3
InChIKeyRCYNSLKBSUJGRU-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.30
Rot. Bonds6

About 3-[5-(1,4-dioxan-2-yl)-1,3-oxazol-2-yl]-N-ethylpropan-1-amine

3-[5-(1,4-dioxan-2-yl)-1,3-oxazol-2-yl]-N-ethylpropan-1-amine (PubChem CID 65186864) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3-[5-(1,4-dioxan-2-yl)-1,3-oxazol-2-yl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name3-[5-(1,4-dioxan-2-yl)-1,3-oxazol-2-yl]-N-ethylpropan-1-amine
PubChem CID65186864
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name3-[5-(1,4-dioxan-2-yl)-1,3-oxazol-2-yl]-N-ethylpropan-1-amine
SMILESCCNCCCc1ncc(C2COCCO2)o1
InChIInChI=1S/C12H20N2O3/c1-2-13-5-3-4-12-14-8-10(17-12)11-9-15-6-7-16-11/h8,11,13H,2-7,9H2,1H3
InChIKeyRCYNSLKBSUJGRU-UHFFFAOYSA-N
XLogP1.30
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.30
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 3-[5-(1,4-dioxan-2-yl)-1,3-oxazol-2-yl]-N-ethylpropan-1-amine?
The IUPAC name of 3-[5-(1,4-dioxan-2-yl)-1,3-oxazol-2-yl]-N-ethylpropan-1-amine (CID 65186864) is 3-[5-(1,4-dioxan-2-yl)-1,3-oxazol-2-yl]-N-ethylpropan-1-amine.
What is the SMILES notation for 3-[5-(1,4-dioxan-2-yl)-1,3-oxazol-2-yl]-N-ethylpropan-1-amine?
The canonical SMILES for 3-[5-(1,4-dioxan-2-yl)-1,3-oxazol-2-yl]-N-ethylpropan-1-amine is CCNCCCc1ncc(C2COCCO2)o1.
What is the InChIKey of 3-[5-(1,4-dioxan-2-yl)-1,3-oxazol-2-yl]-N-ethylpropan-1-amine?
The InChIKey is RCYNSLKBSUJGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-2-13-5-3-4-12-14-8-10(17-12)11-9-15-6-7-16-11/h8,11,13H,2-7,9H2,1H3.
What are the key properties of 3-[5-(1,4-dioxan-2-yl)-1,3-oxazol-2-yl]-N-ethylpropan-1-amine?
3-[5-(1,4-dioxan-2-yl)-1,3-oxazol-2-yl]-N-ethylpropan-1-amine has a molecular weight of 240.30 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1,4-dioxan-2-yl)-1,3-oxazol-2-yl]-N-ethylpropan-1-amine is sourced from PubChem (CID 65186864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).