2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine

C13H16F3N3OS — CID 138018826

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
SMILESCc1noc(C)c1C(C)(C)NCc1csc(C(F)(F)F)n1
InChIInChI=1S/C13H16F3N3OS/c1-7-10(8(2)20-19-7)12(3,4)17-5-9-6-21-11(18-9)13(14,15)16/h6,17H,5H2,1-4H3
InChIKeyZIUDCLFTJARJGZ-UHFFFAOYSA-N
MW319.35 g/mol
LogP3.79
Rot. Bonds4

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine (PubChem CID 138018826) has the molecular formula C13H16F3N3OS and a molecular weight of 319.35 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
PubChem CID138018826
Molecular FormulaC13H16F3N3OS
Molecular Weight319.35 g/mol
Exact Mass319.10
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
SMILESCc1noc(C)c1C(C)(C)NCc1csc(C(F)(F)F)n1
InChIInChI=1S/C13H16F3N3OS/c1-7-10(8(2)20-19-7)12(3,4)17-5-9-6-21-11(18-9)13(14,15)16/h6,17H,5H2,1-4H3
InChIKeyZIUDCLFTJARJGZ-UHFFFAOYSA-N
XLogP3.79
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-N-(2-sulfanylethyl)-1,3-thiazole-5-carboxamide
CID 177679470
2-tert-butyl-N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1,3-thiazole-4-carboxamide
CID 164636384
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 164638220
(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 164639406
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 71882018
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide
CID 71985931
3,5-dimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,2-oxazole-4-carboxamide
CID 71985936
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine
CID 75521389
(3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 94831554
(3R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 95359193
3,5-dimethyl-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,2-oxazole-4-carboxamide
CID 95906722
3,5-dimethyl-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,2-oxazole-4-carboxamide
CID 95906723

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine (CID 138018826) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine is Cc1noc(C)c1C(C)(C)NCc1csc(C(F)(F)F)n1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
The InChIKey is ZIUDCLFTJARJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3OS/c1-7-10(8(2)20-19-7)12(3,4)17-5-9-6-21-11(18-9)13(14,15)16/h6,17H,5H2,1-4H3.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine has a molecular weight of 319.35 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 138018826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).