2-(2-phenyl-1,3-oxazol-4-yl)ethanamine

C11H12N2O — CID 18071418

IUPAC2-(2-phenyl-1,3-oxazol-4-yl)ethanamine
SMILESNCCc1coc(-c2ccccc2)n1
InChIInChI=1S/C11H12N2O/c12-7-6-10-8-14-11(13-10)9-4-2-1-3-5-9/h1-5,8H,6-7,12H2
InChIKeyBWSFNBUVKPIXTH-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.84
Rot. Bonds3

About 2-(2-phenyl-1,3-oxazol-4-yl)ethanamine

2-(2-phenyl-1,3-oxazol-4-yl)ethanamine (PubChem CID 18071418) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-(2-phenyl-1,3-oxazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-phenyl-1,3-oxazol-4-yl)ethanamine
PubChem CID18071418
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2-(2-phenyl-1,3-oxazol-4-yl)ethanamine
SMILESNCCc1coc(-c2ccccc2)n1
InChIInChI=1S/C11H12N2O/c12-7-6-10-8-14-11(13-10)9-4-2-1-3-5-9/h1-5,8H,6-7,12H2
InChIKeyBWSFNBUVKPIXTH-UHFFFAOYSA-N
XLogP1.84
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyl-1,3-oxazol-4-yl)ethanamine?
The IUPAC name of 2-(2-phenyl-1,3-oxazol-4-yl)ethanamine (CID 18071418) is 2-(2-phenyl-1,3-oxazol-4-yl)ethanamine.
What is the SMILES notation for 2-(2-phenyl-1,3-oxazol-4-yl)ethanamine?
The canonical SMILES for 2-(2-phenyl-1,3-oxazol-4-yl)ethanamine is NCCc1coc(-c2ccccc2)n1.
What is the InChIKey of 2-(2-phenyl-1,3-oxazol-4-yl)ethanamine?
The InChIKey is BWSFNBUVKPIXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c12-7-6-10-8-14-11(13-10)9-4-2-1-3-5-9/h1-5,8H,6-7,12H2.
What are the key properties of 2-(2-phenyl-1,3-oxazol-4-yl)ethanamine?
2-(2-phenyl-1,3-oxazol-4-yl)ethanamine has a molecular weight of 188.23 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyl-1,3-oxazol-4-yl)ethanamine is sourced from PubChem (CID 18071418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).