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

C6H8F2N2O — CID 84764452

IUPAC1-[5-(difluoromethyl)-1,3-oxazol-2-yl]ethanamine
SMILESCC(N)c1ncc(C(F)F)o1
InChIInChI=1S/C6H8F2N2O/c1-3(9)6-10-2-4(11-6)5(7)8/h2-3,5H,9H2,1H3
InChIKeyUSQJLFPEANEZLG-UHFFFAOYSA-N
MW162.14 g/mol
LogP1.63
Rot. Bonds2

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

1-[5-(difluoromethyl)-1,3-oxazol-2-yl]ethanamine (PubChem CID 84764452) has the molecular formula C6H8F2N2O and a molecular weight of 162.14 g/mol. Its IUPAC name is 1-[5-(difluoromethyl)-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(difluoromethyl)-1,3-oxazol-2-yl]ethanamine
PubChem CID84764452
Molecular FormulaC6H8F2N2O
Molecular Weight162.14 g/mol
Exact Mass162.06
IUPAC Name1-[5-(difluoromethyl)-1,3-oxazol-2-yl]ethanamine
SMILESCC(N)c1ncc(C(F)F)o1
InChIInChI=1S/C6H8F2N2O/c1-3(9)6-10-2-4(11-6)5(7)8/h2-3,5H,9H2,1H3
InChIKeyUSQJLFPEANEZLG-UHFFFAOYSA-N
XLogP1.63
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(difluoromethyl)-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of 1-[5-(difluoromethyl)-1,3-oxazol-2-yl]ethanamine (CID 84764452) is 1-[5-(difluoromethyl)-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(difluoromethyl)-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for 1-[5-(difluoromethyl)-1,3-oxazol-2-yl]ethanamine is CC(N)c1ncc(C(F)F)o1.
What is the InChIKey of 1-[5-(difluoromethyl)-1,3-oxazol-2-yl]ethanamine?
The InChIKey is USQJLFPEANEZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2O/c1-3(9)6-10-2-4(11-6)5(7)8/h2-3,5H,9H2,1H3.
What are the key properties of 1-[5-(difluoromethyl)-1,3-oxazol-2-yl]ethanamine?
1-[5-(difluoromethyl)-1,3-oxazol-2-yl]ethanamine has a molecular weight of 162.14 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(difluoromethyl)-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 84764452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).