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

C13H16N2O — CID 65178534

IUPAC2-[5-(2-phenylethyl)-1,3-oxazol-2-yl]ethanamine
SMILESNCCc1ncc(CCc2ccccc2)o1
InChIInChI=1S/C13H16N2O/c14-9-8-13-15-10-12(16-13)7-6-11-4-2-1-3-5-11/h1-5,10H,6-9,14H2
InChIKeyOOWWTWRRWMXIIL-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.96
Rot. Bonds5

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

2-[5-(2-phenylethyl)-1,3-oxazol-2-yl]ethanamine (PubChem CID 65178534) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[5-(2-phenylethyl)-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(2-phenylethyl)-1,3-oxazol-2-yl]ethanamine
PubChem CID65178534
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-[5-(2-phenylethyl)-1,3-oxazol-2-yl]ethanamine
SMILESNCCc1ncc(CCc2ccccc2)o1
InChIInChI=1S/C13H16N2O/c14-9-8-13-15-10-12(16-13)7-6-11-4-2-1-3-5-11/h1-5,10H,6-9,14H2
InChIKeyOOWWTWRRWMXIIL-UHFFFAOYSA-N
XLogP1.96
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-phenylethyl)-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(2-phenylethyl)-1,3-oxazol-2-yl]ethanamine (CID 65178534) is 2-[5-(2-phenylethyl)-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(2-phenylethyl)-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(2-phenylethyl)-1,3-oxazol-2-yl]ethanamine is NCCc1ncc(CCc2ccccc2)o1.
What is the InChIKey of 2-[5-(2-phenylethyl)-1,3-oxazol-2-yl]ethanamine?
The InChIKey is OOWWTWRRWMXIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c14-9-8-13-15-10-12(16-13)7-6-11-4-2-1-3-5-11/h1-5,10H,6-9,14H2.
What are the key properties of 2-[5-(2-phenylethyl)-1,3-oxazol-2-yl]ethanamine?
2-[5-(2-phenylethyl)-1,3-oxazol-2-yl]ethanamine has a molecular weight of 216.28 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-phenylethyl)-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 65178534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).