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

C13H11F3N2O2 — CID 86166953

IUPAC5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccccc2C(F)(F)F)no1
InChIInChI=1S/C13H11F3N2O2/c1-8-6-11(18-20-8)12(19)17-7-9-4-2-3-5-10(9)13(14,15)16/h2-6H,7H2,1H3,(H,17,19)
InChIKeyXZHIJHPLKJXPEX-UHFFFAOYSA-N
MW284.24 g/mol
LogP2.93
Rot. Bonds3

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

5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 86166953) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is 5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID86166953
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Name5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccccc2C(F)(F)F)no1
InChIInChI=1S/C13H11F3N2O2/c1-8-6-11(18-20-8)12(19)17-7-9-4-2-3-5-10(9)13(14,15)16/h2-6H,7H2,1H3,(H,17,19)
InChIKeyXZHIJHPLKJXPEX-UHFFFAOYSA-N
XLogP2.93
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 60607130
1,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 35762734
5-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 51277216
5-[(2,4-difluorophenoxy)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 25308523
5-(furan-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 39854407
5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 2971561
5-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 42195960
N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide
CID 86794026
N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 42515365
2-(1-amino-2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3841739
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[[2-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide
CID 53489862
5-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 60593102

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide (CID 86166953) is 5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCc2ccccc2C(F)(F)F)no1.
What is the InChIKey of 5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is XZHIJHPLKJXPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c1-8-6-11(18-20-8)12(19)17-7-9-4-2-3-5-10(9)13(14,15)16/h2-6H,7H2,1H3,(H,17,19).
What are the key properties of 5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 284.24 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 86166953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).