2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

C6H5F3N2O2 — CID 2726918

IUPAC2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(N)=O)c(C(F)(F)F)o1
InChIInChI=1S/C6H5F3N2O2/c1-2-11-3(5(10)12)4(13-2)6(7,8)9/h1H3,(H2,10,12)
InChIKeyHFOWFIWOXCRPQU-UHFFFAOYSA-N
MW194.11 g/mol
LogP1.10
Rot. Bonds1

About 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 2726918) has the molecular formula C6H5F3N2O2 and a molecular weight of 194.11 g/mol. Its IUPAC name is 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
PubChem CID2726918
Molecular FormulaC6H5F3N2O2
Molecular Weight194.11 g/mol
Exact Mass194.03
IUPAC Name2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(N)=O)c(C(F)(F)F)o1
InChIInChI=1S/C6H5F3N2O2/c1-2-11-3(5(10)12)4(13-2)6(7,8)9/h1H3,(H2,10,12)
InChIKeyHFOWFIWOXCRPQU-UHFFFAOYSA-N
XLogP1.10
TPSA69.12 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 ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (CID 2726918) is 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is Cc1nc(C(N)=O)c(C(F)(F)F)o1.
What is the InChIKey of 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is HFOWFIWOXCRPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O2/c1-2-11-3(5(10)12)4(13-2)6(7,8)9/h1H3,(H2,10,12).
What are the key properties of 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 194.11 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 2726918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).