3-methyl-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-1,2-oxazole-4-carboxamide

C17H14F3N3O2S — CID 71071620

IUPAC3-methyl-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)Nc1sc(Cc2cccc(C(F)(F)F)c2)nc1C
InChIInChI=1S/C17H14F3N3O2S/c1-9-13(8-25-23-9)15(24)22-16-10(2)21-14(26-16)7-11-4-3-5-12(6-11)17(18,19)20/h3-6,8H,7H2,1-2H3,(H,22,24)
InChIKeyJLYKQWMIGNSPNO-UHFFFAOYSA-N
MW381.38 g/mol
LogP4.61
Rot. Bonds4

About 3-methyl-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-1,2-oxazole-4-carboxamide

3-methyl-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-1,2-oxazole-4-carboxamide (PubChem CID 71071620) has the molecular formula C17H14F3N3O2S and a molecular weight of 381.38 g/mol. Its IUPAC name is 3-methyl-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-1,2-oxazole-4-carboxamide
PubChem CID71071620
Molecular FormulaC17H14F3N3O2S
Molecular Weight381.38 g/mol
Exact Mass381.08
IUPAC Name3-methyl-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)Nc1sc(Cc2cccc(C(F)(F)F)c2)nc1C
InChIInChI=1S/C17H14F3N3O2S/c1-9-13(8-25-23-9)15(24)22-16-10(2)21-14(26-16)7-11-4-3-5-12(6-11)17(18,19)20/h3-6,8H,7H2,1-2H3,(H,22,24)
InChIKeyJLYKQWMIGNSPNO-UHFFFAOYSA-N
XLogP4.61
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]thiophene-3-carboxamide
CID 71071188
5-[(3-methoxyphenoxy)methyl]-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]furan-2-carboxamide
CID 71071530
(2S)-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-5-oxopyrrolidine-2-carboxamide
CID 71071745
3-[butanoyl(methyl)amino]-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]benzamide
CID 71082021
(E)-3-(1H-imidazol-5-yl)-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]prop-2-enamide
CID 71082020
1-acetyl-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide
CID 71071866
2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 84565129
2-methyl-N-[4-methyl-2-[(3-nitrophenyl)methyl]-1,3-thiazol-5-yl]pyrazole-3-carboxamide
CID 71071362
N-[4-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
CID 43836442
ethyl 4-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-2-(trifluoromethyl)benzoate
CID 162621143
1-(3-methyl-1,2-oxazol-4-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 141295985
2-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxylic acid
CID 149120957

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-1,2-oxazole-4-carboxamide (CID 71071620) is 3-methyl-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-1,2-oxazole-4-carboxamide is Cc1nocc1C(=O)Nc1sc(Cc2cccc(C(F)(F)F)c2)nc1C.
What is the InChIKey of 3-methyl-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-1,2-oxazole-4-carboxamide?
The InChIKey is JLYKQWMIGNSPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2S/c1-9-13(8-25-23-9)15(24)22-16-10(2)21-14(26-16)7-11-4-3-5-12(6-11)17(18,19)20/h3-6,8H,7H2,1-2H3,(H,22,24).
What are the key properties of 3-methyl-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-1,2-oxazole-4-carboxamide?
3-methyl-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-1,2-oxazole-4-carboxamide has a molecular weight of 381.38 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 71071620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).