3-ethyl-5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide

C9H11F3N2O2 — CID 51073406

IUPAC3-ethyl-5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NCC(F)(F)F
InChIInChI=1S/C9H11F3N2O2/c1-3-6-7(5(2)16-14-6)8(15)13-4-9(10,11)12/h3-4H2,1-2H3,(H,13,15)
InChIKeyGUIMTLVMMWGFKB-UHFFFAOYSA-N
MW236.19 g/mol
LogP1.84
Rot. Bonds3

About 3-ethyl-5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide

3-ethyl-5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide (PubChem CID 51073406) has the molecular formula C9H11F3N2O2 and a molecular weight of 236.19 g/mol. Its IUPAC name is 3-ethyl-5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide
PubChem CID51073406
Molecular FormulaC9H11F3N2O2
Molecular Weight236.19 g/mol
Exact Mass236.08
IUPAC Name3-ethyl-5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NCC(F)(F)F
InChIInChI=1S/C9H11F3N2O2/c1-3-6-7(5(2)16-14-6)8(15)13-4-9(10,11)12/h3-4H2,1-2H3,(H,13,15)
InChIKeyGUIMTLVMMWGFKB-UHFFFAOYSA-N
XLogP1.84
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-ethyl-5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide (CID 51073406) is 3-ethyl-5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-ethyl-5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)NCC(F)(F)F.
What is the InChIKey of 3-ethyl-5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is GUIMTLVMMWGFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2/c1-3-6-7(5(2)16-14-6)8(15)13-4-9(10,11)12/h3-4H2,1-2H3,(H,13,15).
What are the key properties of 3-ethyl-5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide?
3-ethyl-5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 236.19 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 51073406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).