3,3,3-trifluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]propan-1-amine

C8H11F3N2OS — CID 106923871

IUPAC3,3,3-trifluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]propan-1-amine
SMILESCc1coc(SCC(CN)C(F)(F)F)n1
InChIInChI=1S/C8H11F3N2OS/c1-5-3-14-7(13-5)15-4-6(2-12)8(9,10)11/h3,6H,2,4,12H2,1H3
InChIKeyNKGRJKQWYUNLJN-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.21
Rot. Bonds4

About 3,3,3-trifluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]propan-1-amine

3,3,3-trifluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]propan-1-amine (PubChem CID 106923871) has the molecular formula C8H11F3N2OS and a molecular weight of 240.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]propan-1-amine
PubChem CID106923871
Molecular FormulaC8H11F3N2OS
Molecular Weight240.25 g/mol
Exact Mass240.05
IUPAC Name3,3,3-trifluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]propan-1-amine
SMILESCc1coc(SCC(CN)C(F)(F)F)n1
InChIInChI=1S/C8H11F3N2OS/c1-5-3-14-7(13-5)15-4-6(2-12)8(9,10)11/h3,6H,2,4,12H2,1H3
InChIKeyNKGRJKQWYUNLJN-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,3,3-trifluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]propan-1-amine (CID 106923871) is 3,3,3-trifluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]propan-1-amine is Cc1coc(SCC(CN)C(F)(F)F)n1.
What is the InChIKey of 3,3,3-trifluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]propan-1-amine?
The InChIKey is NKGRJKQWYUNLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2OS/c1-5-3-14-7(13-5)15-4-6(2-12)8(9,10)11/h3,6H,2,4,12H2,1H3.
What are the key properties of 3,3,3-trifluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]propan-1-amine?
3,3,3-trifluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]propan-1-amine has a molecular weight of 240.25 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]propan-1-amine is sourced from PubChem (CID 106923871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).