2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide

C14H16F3N3O2S — CID 95906732

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide
SMILESCC[C@@H](NC(=O)Cc1c(C)noc1C)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C14H16F3N3O2S/c1-4-10(13-19-11(6-23-13)14(15,16)17)18-12(21)5-9-7(2)20-22-8(9)3/h6,10H,4-5H2,1-3H3,(H,18,21)/t10-/m1/s1
InChIKeyLZPIBXUMSIXQPG-SNVBAGLBSA-N
MW347.36 g/mol
LogP3.58
Rot. Bonds5

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide (PubChem CID 95906732) has the molecular formula C14H16F3N3O2S and a molecular weight of 347.36 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide
PubChem CID95906732
Molecular FormulaC14H16F3N3O2S
Molecular Weight347.36 g/mol
Exact Mass347.09
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide
SMILESCC[C@@H](NC(=O)Cc1c(C)noc1C)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C14H16F3N3O2S/c1-4-10(13-19-11(6-23-13)14(15,16)17)18-12(21)5-9-7(2)20-22-8(9)3/h6,10H,4-5H2,1-3H3,(H,18,21)/t10-/m1/s1
InChIKeyLZPIBXUMSIXQPG-SNVBAGLBSA-N
XLogP3.58
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]urea
CID 95904349
3-amino-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide
CID 119340890
4-amino-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pentanamide;hydrochloride
CID 120563791
3,3-dimethyl-5-oxo-5-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylamino]pentanoic acid
CID 119139751
5-methyl-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1H-pyrazole-3-carboxamide
CID 95906724
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 43027694
1,3-dimethyl-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazole-4-carboxamide
CID 95906693
3-(2-aminophenyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide;hydrochloride
CID 120611631
5-(4-fluorophenyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,2-oxazole-3-carboxamide
CID 146090228
2-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,3-thiazole-5-carboxamide
CID 71985953
N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]ethanesulfonamide
CID 71985542
1-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 102553878

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide (CID 95906732) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide is CC[C@@H](NC(=O)Cc1c(C)noc1C)c1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide?
The InChIKey is LZPIBXUMSIXQPG-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H16F3N3O2S/c1-4-10(13-19-11(6-23-13)14(15,16)17)18-12(21)5-9-7(2)20-22-8(9)3/h6,10H,4-5H2,1-3H3,(H,18,21)/t10-/m1/s1.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide has a molecular weight of 347.36 g/mol, XLogP of 3.58, 5 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-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide is sourced from PubChem (CID 95906732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).