3,3,3-trifluoro-N-(1,2-oxazol-3-ylmethyl)propan-1-amine

C7H9F3N2O — CID 81170683

IUPAC3,3,3-trifluoro-N-(1,2-oxazol-3-ylmethyl)propan-1-amine
SMILESFC(F)(F)CCNCc1ccon1
InChIInChI=1S/C7H9F3N2O/c8-7(9,10)2-3-11-5-6-1-4-13-12-6/h1,4,11H,2-3,5H2
InChIKeyOWWZXMLFGISSSO-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.72
Rot. Bonds4

About 3,3,3-trifluoro-N-(1,2-oxazol-3-ylmethyl)propan-1-amine

3,3,3-trifluoro-N-(1,2-oxazol-3-ylmethyl)propan-1-amine (PubChem CID 81170683) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(1,2-oxazol-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(1,2-oxazol-3-ylmethyl)propan-1-amine
PubChem CID81170683
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name3,3,3-trifluoro-N-(1,2-oxazol-3-ylmethyl)propan-1-amine
SMILESFC(F)(F)CCNCc1ccon1
InChIInChI=1S/C7H9F3N2O/c8-7(9,10)2-3-11-5-6-1-4-13-12-6/h1,4,11H,2-3,5H2
InChIKeyOWWZXMLFGISSSO-UHFFFAOYSA-N
XLogP1.72
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(1,2-oxazol-3-ylmethyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-(1,2-oxazol-3-ylmethyl)propan-1-amine (CID 81170683) is 3,3,3-trifluoro-N-(1,2-oxazol-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-(1,2-oxazol-3-ylmethyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-(1,2-oxazol-3-ylmethyl)propan-1-amine is FC(F)(F)CCNCc1ccon1.
What is the InChIKey of 3,3,3-trifluoro-N-(1,2-oxazol-3-ylmethyl)propan-1-amine?
The InChIKey is OWWZXMLFGISSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O/c8-7(9,10)2-3-11-5-6-1-4-13-12-6/h1,4,11H,2-3,5H2.
What are the key properties of 3,3,3-trifluoro-N-(1,2-oxazol-3-ylmethyl)propan-1-amine?
3,3,3-trifluoro-N-(1,2-oxazol-3-ylmethyl)propan-1-amine has a molecular weight of 194.16 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(1,2-oxazol-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 81170683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).