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

C17H19F3N2O2 — CID 70768734

IUPACN-methyl-3-(2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-5-carboxamide
SMILESCC(C)Cc1cc(C(=O)N(C)Cc2ccccc2C(F)(F)F)on1
InChIInChI=1S/C17H19F3N2O2/c1-11(2)8-13-9-15(24-21-13)16(23)22(3)10-12-6-4-5-7-14(12)17(18,19)20/h4-7,9,11H,8,10H2,1-3H3
InChIKeyGDYUPACHBYKJKF-UHFFFAOYSA-N
MW340.35 g/mol
LogP4.16
Rot. Bonds5

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

N-methyl-3-(2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-5-carboxamide (PubChem CID 70768734) has the molecular formula C17H19F3N2O2 and a molecular weight of 340.35 g/mol. Its IUPAC name is N-methyl-3-(2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-3-(2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-5-carboxamide
PubChem CID70768734
Molecular FormulaC17H19F3N2O2
Molecular Weight340.35 g/mol
Exact Mass340.14
IUPAC NameN-methyl-3-(2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-5-carboxamide
SMILESCC(C)Cc1cc(C(=O)N(C)Cc2ccccc2C(F)(F)F)on1
InChIInChI=1S/C17H19F3N2O2/c1-11(2)8-13-9-15(24-21-13)16(23)22(3)10-12-6-4-5-7-14(12)17(18,19)20/h4-7,9,11H,8,10H2,1-3H3
InChIKeyGDYUPACHBYKJKF-UHFFFAOYSA-N
XLogP4.16
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-methyl-3-(2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-5-carboxamide (CID 70768734) is N-methyl-3-(2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-methyl-3-(2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-methyl-3-(2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-5-carboxamide is CC(C)Cc1cc(C(=O)N(C)Cc2ccccc2C(F)(F)F)on1.
What is the InChIKey of N-methyl-3-(2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is GDYUPACHBYKJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O2/c1-11(2)8-13-9-15(24-21-13)16(23)22(3)10-12-6-4-5-7-14(12)17(18,19)20/h4-7,9,11H,8,10H2,1-3H3.
What are the key properties of N-methyl-3-(2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-5-carboxamide?
N-methyl-3-(2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 340.35 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 70768734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).