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

C11H14N2O — CID 84662651

IUPAC1-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]ethanamine
SMILESCC(N)c1cccc(C2=NCCO2)c1
InChIInChI=1S/C11H14N2O/c1-8(12)9-3-2-4-10(7-9)11-13-5-6-14-11/h2-4,7-8H,5-6,12H2,1H3
InChIKeyQYVRBQLBRQNJJC-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.48
Rot. Bonds2

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

1-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]ethanamine (PubChem CID 84662651) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]ethanamine
PubChem CID84662651
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]ethanamine
SMILESCC(N)c1cccc(C2=NCCO2)c1
InChIInChI=1S/C11H14N2O/c1-8(12)9-3-2-4-10(7-9)11-13-5-6-14-11/h2-4,7-8H,5-6,12H2,1H3
InChIKeyQYVRBQLBRQNJJC-UHFFFAOYSA-N
XLogP1.48
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]ethanamine?
The IUPAC name of 1-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]ethanamine (CID 84662651) is 1-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]ethanamine?
The canonical SMILES for 1-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]ethanamine is CC(N)c1cccc(C2=NCCO2)c1.
What is the InChIKey of 1-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]ethanamine?
The InChIKey is QYVRBQLBRQNJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-8(12)9-3-2-4-10(7-9)11-13-5-6-14-11/h2-4,7-8H,5-6,12H2,1H3.
What are the key properties of 1-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]ethanamine?
1-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]ethanamine has a molecular weight of 190.25 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]ethanamine is sourced from PubChem (CID 84662651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).