5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide

C7H7F3N2O2 — CID 9463852

IUPAC5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCC(F)(F)F)no1
InChIInChI=1S/C7H7F3N2O2/c1-4-2-5(12-14-4)6(13)11-3-7(8,9)10/h2H,3H2,1H3,(H,11,13)
InChIKeyXCSPVFNSKGQNKR-UHFFFAOYSA-N
MW208.14 g/mol
LogP1.28
Rot. Bonds2

About 5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide

5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide (PubChem CID 9463852) has the molecular formula C7H7F3N2O2 and a molecular weight of 208.14 g/mol. Its IUPAC name is 5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide
PubChem CID9463852
Molecular FormulaC7H7F3N2O2
Molecular Weight208.14 g/mol
Exact Mass208.05
IUPAC Name5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCC(F)(F)F)no1
InChIInChI=1S/C7H7F3N2O2/c1-4-2-5(12-14-4)6(13)11-3-7(8,9)10/h2H,3H2,1H3,(H,11,13)
InChIKeyXCSPVFNSKGQNKR-UHFFFAOYSA-N
XLogP1.28
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide (CID 9463852) is 5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCC(F)(F)F)no1.
What is the InChIKey of 5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is XCSPVFNSKGQNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2/c1-4-2-5(12-14-4)6(13)11-3-7(8,9)10/h2H,3H2,1H3,(H,11,13).
What are the key properties of 5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide?
5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 208.14 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 9463852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).