[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methanamine

C6H7F3N2O — CID 79139048

IUPAC[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methanamine
SMILESNCc1ncoc1CC(F)(F)F
InChIInChI=1S/C6H7F3N2O/c7-6(8,9)1-5-4(2-10)11-3-12-5/h3H,1-2,10H2
InChIKeyMBYXTOZHPAMNFB-UHFFFAOYSA-N
MW180.13 g/mol
LogP1.24
Rot. Bonds2

About [5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methanamine

[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methanamine (PubChem CID 79139048) has the molecular formula C6H7F3N2O and a molecular weight of 180.13 g/mol. Its IUPAC name is [5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methanamine
PubChem CID79139048
Molecular FormulaC6H7F3N2O
Molecular Weight180.13 g/mol
Exact Mass180.05
IUPAC Name[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methanamine
SMILESNCc1ncoc1CC(F)(F)F
InChIInChI=1S/C6H7F3N2O/c7-6(8,9)1-5-4(2-10)11-3-12-5/h3H,1-2,10H2
InChIKeyMBYXTOZHPAMNFB-UHFFFAOYSA-N
XLogP1.24
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methanamine?
The IUPAC name of [5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methanamine (CID 79139048) is [5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methanamine.
What is the SMILES notation for [5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methanamine?
The canonical SMILES for [5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methanamine is NCc1ncoc1CC(F)(F)F.
What is the InChIKey of [5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methanamine?
The InChIKey is MBYXTOZHPAMNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2O/c7-6(8,9)1-5-4(2-10)11-3-12-5/h3H,1-2,10H2.
What are the key properties of [5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methanamine?
[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methanamine has a molecular weight of 180.13 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methanamine is sourced from PubChem (CID 79139048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).