2-(1,3-oxazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine

C8H11F3N2OS — CID 106925746

IUPAC2-(1,3-oxazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)Sc1ncco1
InChIInChI=1S/C8H11F3N2OS/c1-6(4-12-5-8(9,10)11)15-7-13-2-3-14-7/h2-3,6,12H,4-5H2,1H3
InChIKeyFUIZDPIVYMPCJW-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.31
Rot. Bonds5

About 2-(1,3-oxazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine

2-(1,3-oxazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 106925746) has the molecular formula C8H11F3N2OS and a molecular weight of 240.25 g/mol. Its IUPAC name is 2-(1,3-oxazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-(1,3-oxazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID106925746
Molecular FormulaC8H11F3N2OS
Molecular Weight240.25 g/mol
Exact Mass240.05
IUPAC Name2-(1,3-oxazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)Sc1ncco1
InChIInChI=1S/C8H11F3N2OS/c1-6(4-12-5-8(9,10)11)15-7-13-2-3-14-7/h2-3,6,12H,4-5H2,1H3
InChIKeyFUIZDPIVYMPCJW-UHFFFAOYSA-N
XLogP2.31
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-oxazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-(1,3-oxazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 106925746) is 2-(1,3-oxazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-(1,3-oxazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-(1,3-oxazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine is CC(CNCC(F)(F)F)Sc1ncco1.
What is the InChIKey of 2-(1,3-oxazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is FUIZDPIVYMPCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2OS/c1-6(4-12-5-8(9,10)11)15-7-13-2-3-14-7/h2-3,6,12H,4-5H2,1H3.
What are the key properties of 2-(1,3-oxazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-(1,3-oxazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 240.25 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-oxazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 106925746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).