N-methyl-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide

C6H5F3N2O2 — CID 131089567

IUPACN-methyl-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCNC(=O)c1coc(C(F)(F)F)n1
InChIInChI=1S/C6H5F3N2O2/c1-10-4(12)3-2-13-5(11-3)6(7,8)9/h2H,1H3,(H,10,12)
InChIKeyJCJOZFAVHALARA-UHFFFAOYSA-N
MW194.11 g/mol
LogP1.05
Rot. Bonds1

About N-methyl-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide

N-methyl-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 131089567) has the molecular formula C6H5F3N2O2 and a molecular weight of 194.11 g/mol. Its IUPAC name is N-methyl-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide
PubChem CID131089567
Molecular FormulaC6H5F3N2O2
Molecular Weight194.11 g/mol
Exact Mass194.03
IUPAC NameN-methyl-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCNC(=O)c1coc(C(F)(F)F)n1
InChIInChI=1S/C6H5F3N2O2/c1-10-4(12)3-2-13-5(11-3)6(7,8)9/h2H,1H3,(H,10,12)
InChIKeyJCJOZFAVHALARA-UHFFFAOYSA-N
XLogP1.05
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.11
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-methyl-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide (CID 131089567) is N-methyl-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-methyl-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-methyl-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide is CNC(=O)c1coc(C(F)(F)F)n1.
What is the InChIKey of N-methyl-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is JCJOZFAVHALARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O2/c1-10-4(12)3-2-13-5(11-3)6(7,8)9/h2H,1H3,(H,10,12).
What are the key properties of N-methyl-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
N-methyl-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 194.11 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 131089567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).