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

C9H14N2O3 — CID 65178794

IUPAC1-[5-(1,4-dioxan-2-yl)-1,3-oxazol-2-yl]ethanamine
SMILESCC(N)c1ncc(C2COCCO2)o1
InChIInChI=1S/C9H14N2O3/c1-6(10)9-11-4-7(14-9)8-5-12-2-3-13-8/h4,6,8H,2-3,5,10H2,1H3
InChIKeyUAYICCGQEKZOBD-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.78
Rot. Bonds2

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

1-[5-(1,4-dioxan-2-yl)-1,3-oxazol-2-yl]ethanamine (PubChem CID 65178794) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 1-[5-(1,4-dioxan-2-yl)-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(1,4-dioxan-2-yl)-1,3-oxazol-2-yl]ethanamine
PubChem CID65178794
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name1-[5-(1,4-dioxan-2-yl)-1,3-oxazol-2-yl]ethanamine
SMILESCC(N)c1ncc(C2COCCO2)o1
InChIInChI=1S/C9H14N2O3/c1-6(10)9-11-4-7(14-9)8-5-12-2-3-13-8/h4,6,8H,2-3,5,10H2,1H3
InChIKeyUAYICCGQEKZOBD-UHFFFAOYSA-N
XLogP0.78
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,4-dioxan-2-yl)-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of 1-[5-(1,4-dioxan-2-yl)-1,3-oxazol-2-yl]ethanamine (CID 65178794) is 1-[5-(1,4-dioxan-2-yl)-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(1,4-dioxan-2-yl)-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for 1-[5-(1,4-dioxan-2-yl)-1,3-oxazol-2-yl]ethanamine is CC(N)c1ncc(C2COCCO2)o1.
What is the InChIKey of 1-[5-(1,4-dioxan-2-yl)-1,3-oxazol-2-yl]ethanamine?
The InChIKey is UAYICCGQEKZOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-6(10)9-11-4-7(14-9)8-5-12-2-3-13-8/h4,6,8H,2-3,5,10H2,1H3.
What are the key properties of 1-[5-(1,4-dioxan-2-yl)-1,3-oxazol-2-yl]ethanamine?
1-[5-(1,4-dioxan-2-yl)-1,3-oxazol-2-yl]ethanamine has a molecular weight of 198.22 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,4-dioxan-2-yl)-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 65178794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).