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

C13H16N2O — CID 114420254

IUPAC1-[3-(2-phenylethyl)-1,2-oxazol-5-yl]ethanamine
SMILESCC(N)c1cc(CCc2ccccc2)no1
InChIInChI=1S/C13H16N2O/c1-10(14)13-9-12(15-16-13)8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8,14H2,1H3
InChIKeyDHSXGXKWJRWZLN-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.48
Rot. Bonds4

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

1-[3-(2-phenylethyl)-1,2-oxazol-5-yl]ethanamine (PubChem CID 114420254) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-[3-(2-phenylethyl)-1,2-oxazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[3-(2-phenylethyl)-1,2-oxazol-5-yl]ethanamine
PubChem CID114420254
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-[3-(2-phenylethyl)-1,2-oxazol-5-yl]ethanamine
SMILESCC(N)c1cc(CCc2ccccc2)no1
InChIInChI=1S/C13H16N2O/c1-10(14)13-9-12(15-16-13)8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8,14H2,1H3
InChIKeyDHSXGXKWJRWZLN-UHFFFAOYSA-N
XLogP2.48
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-phenylethyl)-1,2-oxazol-5-yl]ethanamine?
The IUPAC name of 1-[3-(2-phenylethyl)-1,2-oxazol-5-yl]ethanamine (CID 114420254) is 1-[3-(2-phenylethyl)-1,2-oxazol-5-yl]ethanamine.
What is the SMILES notation for 1-[3-(2-phenylethyl)-1,2-oxazol-5-yl]ethanamine?
The canonical SMILES for 1-[3-(2-phenylethyl)-1,2-oxazol-5-yl]ethanamine is CC(N)c1cc(CCc2ccccc2)no1.
What is the InChIKey of 1-[3-(2-phenylethyl)-1,2-oxazol-5-yl]ethanamine?
The InChIKey is DHSXGXKWJRWZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-10(14)13-9-12(15-16-13)8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8,14H2,1H3.
What are the key properties of 1-[3-(2-phenylethyl)-1,2-oxazol-5-yl]ethanamine?
1-[3-(2-phenylethyl)-1,2-oxazol-5-yl]ethanamine has a molecular weight of 216.28 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-phenylethyl)-1,2-oxazol-5-yl]ethanamine is sourced from PubChem (CID 114420254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).