[4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-(trifluoromethyl)phenyl]methanamine

C13H13F3N2OS — CID 106926807

IUPAC[4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-(trifluoromethyl)phenyl]methanamine
SMILESCc1nc(Sc2ccc(CN)cc2C(F)(F)F)oc1C
InChIInChI=1S/C13H13F3N2OS/c1-7-8(2)19-12(18-7)20-11-4-3-9(6-17)5-10(11)13(14,15)16/h3-5H,6,17H2,1-2H3
InChIKeyGDHRNOCWZMPXFS-UHFFFAOYSA-N
MW302.32 g/mol
LogP3.92
Rot. Bonds3

About [4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-(trifluoromethyl)phenyl]methanamine

[4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-(trifluoromethyl)phenyl]methanamine (PubChem CID 106926807) has the molecular formula C13H13F3N2OS and a molecular weight of 302.32 g/mol. Its IUPAC name is [4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-(trifluoromethyl)phenyl]methanamine
PubChem CID106926807
Molecular FormulaC13H13F3N2OS
Molecular Weight302.32 g/mol
Exact Mass302.07
IUPAC Name[4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-(trifluoromethyl)phenyl]methanamine
SMILESCc1nc(Sc2ccc(CN)cc2C(F)(F)F)oc1C
InChIInChI=1S/C13H13F3N2OS/c1-7-8(2)19-12(18-7)20-11-4-3-9(6-17)5-10(11)13(14,15)16/h3-5H,6,17H2,1-2H3
InChIKeyGDHRNOCWZMPXFS-UHFFFAOYSA-N
XLogP3.92
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-(trifluoromethyl)aniline
CID 106921696
4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)benzoic acid
CID 106926107
3-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]sulfanylbutan-2-ol
CID 107772234
5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methylisoquinolin-8-amine
CID 106921633
4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-amine
CID 106928592
[5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-pyridinyl]methanamine
CID 106923770
4,5-dimethyl-2-[6-(trifluoromethyl)pyridazin-3-yl]sulfanyl-1,3-oxazole
CID 84593435
4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 106922673
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylaniline
CID 106921700
4-(aminomethyl)-2-(trifluoromethyl)aniline
CID 55255909
ethyl 3-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]benzoate
CID 106924173
[4-(1,3-benzoxazol-2-ylsulfanyl)-3-fluorophenyl]methanamine
CID 43657650

Frequently Asked Questions

What is the IUPAC name of [4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-(trifluoromethyl)phenyl]methanamine (CID 106926807) is [4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-(trifluoromethyl)phenyl]methanamine is Cc1nc(Sc2ccc(CN)cc2C(F)(F)F)oc1C.
What is the InChIKey of [4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is GDHRNOCWZMPXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2OS/c1-7-8(2)19-12(18-7)20-11-4-3-9(6-17)5-10(11)13(14,15)16/h3-5H,6,17H2,1-2H3.
What are the key properties of [4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-(trifluoromethyl)phenyl]methanamine?
[4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 302.32 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 106926807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).