[4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)phenyl]methanamine

C12H11F3N2OS — CID 106923695

IUPAC[4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)phenyl]methanamine
SMILESCc1coc(Sc2ccc(CN)c(C(F)(F)F)c2)n1
InChIInChI=1S/C12H11F3N2OS/c1-7-6-18-11(17-7)19-9-3-2-8(5-16)10(4-9)12(13,14)15/h2-4,6H,5,16H2,1H3
InChIKeyCLBHGYJPPRLNQX-UHFFFAOYSA-N
MW288.29 g/mol
LogP3.61
Rot. Bonds3

About [4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)phenyl]methanamine

[4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)phenyl]methanamine (PubChem CID 106923695) has the molecular formula C12H11F3N2OS and a molecular weight of 288.29 g/mol. Its IUPAC name is [4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)phenyl]methanamine
PubChem CID106923695
Molecular FormulaC12H11F3N2OS
Molecular Weight288.29 g/mol
Exact Mass288.05
IUPAC Name[4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)phenyl]methanamine
SMILESCc1coc(Sc2ccc(CN)c(C(F)(F)F)c2)n1
InChIInChI=1S/C12H11F3N2OS/c1-7-6-18-11(17-7)19-9-3-2-8(5-16)10(4-9)12(13,14)15/h2-4,6H,5,16H2,1H3
InChIKeyCLBHGYJPPRLNQX-UHFFFAOYSA-N
XLogP3.61
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)phenyl]methanamine (CID 106923695) is [4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)phenyl]methanamine is Cc1coc(Sc2ccc(CN)c(C(F)(F)F)c2)n1.
What is the InChIKey of [4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is CLBHGYJPPRLNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2OS/c1-7-6-18-11(17-7)19-9-3-2-8(5-16)10(4-9)12(13,14)15/h2-4,6H,5,16H2,1H3.
What are the key properties of [4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)phenyl]methanamine?
[4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 288.29 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 106923695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).