1,1,1-trifluoro-2-(1,3-oxazol-2-ylsulfanyl)pentan-3-amine

C8H11F3N2OS — CID 106921938

IUPAC1,1,1-trifluoro-2-(1,3-oxazol-2-ylsulfanyl)pentan-3-amine
SMILESCCC(N)C(Sc1ncco1)C(F)(F)F
InChIInChI=1S/C8H11F3N2OS/c1-2-5(12)6(8(9,10)11)15-7-13-3-4-14-7/h3-6H,2,12H2,1H3
InChIKeyQNLVOUFDOQRCAZ-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.43
Rot. Bonds4

About 1,1,1-trifluoro-2-(1,3-oxazol-2-ylsulfanyl)pentan-3-amine

1,1,1-trifluoro-2-(1,3-oxazol-2-ylsulfanyl)pentan-3-amine (PubChem CID 106921938) has the molecular formula C8H11F3N2OS and a molecular weight of 240.25 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(1,3-oxazol-2-ylsulfanyl)pentan-3-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(1,3-oxazol-2-ylsulfanyl)pentan-3-amine
PubChem CID106921938
Molecular FormulaC8H11F3N2OS
Molecular Weight240.25 g/mol
Exact Mass240.05
IUPAC Name1,1,1-trifluoro-2-(1,3-oxazol-2-ylsulfanyl)pentan-3-amine
SMILESCCC(N)C(Sc1ncco1)C(F)(F)F
InChIInChI=1S/C8H11F3N2OS/c1-2-5(12)6(8(9,10)11)15-7-13-3-4-14-7/h3-6H,2,12H2,1H3
InChIKeyQNLVOUFDOQRCAZ-UHFFFAOYSA-N
XLogP2.43
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(1,3-oxazol-2-ylsulfanyl)pentan-3-amine?
The IUPAC name of 1,1,1-trifluoro-2-(1,3-oxazol-2-ylsulfanyl)pentan-3-amine (CID 106921938) is 1,1,1-trifluoro-2-(1,3-oxazol-2-ylsulfanyl)pentan-3-amine.
What is the SMILES notation for 1,1,1-trifluoro-2-(1,3-oxazol-2-ylsulfanyl)pentan-3-amine?
The canonical SMILES for 1,1,1-trifluoro-2-(1,3-oxazol-2-ylsulfanyl)pentan-3-amine is CCC(N)C(Sc1ncco1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(1,3-oxazol-2-ylsulfanyl)pentan-3-amine?
The InChIKey is QNLVOUFDOQRCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2OS/c1-2-5(12)6(8(9,10)11)15-7-13-3-4-14-7/h3-6H,2,12H2,1H3.
What are the key properties of 1,1,1-trifluoro-2-(1,3-oxazol-2-ylsulfanyl)pentan-3-amine?
1,1,1-trifluoro-2-(1,3-oxazol-2-ylsulfanyl)pentan-3-amine has a molecular weight of 240.25 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(1,3-oxazol-2-ylsulfanyl)pentan-3-amine is sourced from PubChem (CID 106921938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).