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

C10H16N2O2 — CID 65178910

IUPAC1-[5-(oxan-3-yl)-1,3-oxazol-2-yl]ethanamine
SMILESCC(N)c1ncc(C2CCCOC2)o1
InChIInChI=1S/C10H16N2O2/c1-7(11)10-12-5-9(14-10)8-3-2-4-13-6-8/h5,7-8H,2-4,6,11H2,1H3
InChIKeyPMNQGXUSULQLAJ-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.59
Rot. Bonds2

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

1-[5-(oxan-3-yl)-1,3-oxazol-2-yl]ethanamine (PubChem CID 65178910) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-[5-(oxan-3-yl)-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(oxan-3-yl)-1,3-oxazol-2-yl]ethanamine
PubChem CID65178910
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-[5-(oxan-3-yl)-1,3-oxazol-2-yl]ethanamine
SMILESCC(N)c1ncc(C2CCCOC2)o1
InChIInChI=1S/C10H16N2O2/c1-7(11)10-12-5-9(14-10)8-3-2-4-13-6-8/h5,7-8H,2-4,6,11H2,1H3
InChIKeyPMNQGXUSULQLAJ-UHFFFAOYSA-N
XLogP1.59
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(oxan-3-yl)-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of 1-[5-(oxan-3-yl)-1,3-oxazol-2-yl]ethanamine (CID 65178910) is 1-[5-(oxan-3-yl)-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(oxan-3-yl)-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for 1-[5-(oxan-3-yl)-1,3-oxazol-2-yl]ethanamine is CC(N)c1ncc(C2CCCOC2)o1.
What is the InChIKey of 1-[5-(oxan-3-yl)-1,3-oxazol-2-yl]ethanamine?
The InChIKey is PMNQGXUSULQLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-7(11)10-12-5-9(14-10)8-3-2-4-13-6-8/h5,7-8H,2-4,6,11H2,1H3.
What are the key properties of 1-[5-(oxan-3-yl)-1,3-oxazol-2-yl]ethanamine?
1-[5-(oxan-3-yl)-1,3-oxazol-2-yl]ethanamine has a molecular weight of 196.25 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(oxan-3-yl)-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 65178910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).