3-ethyl-5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide

C14H13F3N2O2 — CID 3360513

IUPAC3-ethyl-5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H13F3N2O2/c1-3-11-12(8(2)21-19-11)13(20)18-10-6-4-9(5-7-10)14(15,16)17/h4-7H,3H2,1-2H3,(H,18,20)
InChIKeyFBGJJXPVBBXMAE-UHFFFAOYSA-N
MW298.26 g/mol
LogP3.82
Rot. Bonds3

About 3-ethyl-5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide

3-ethyl-5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 3360513) has the molecular formula C14H13F3N2O2 and a molecular weight of 298.26 g/mol. Its IUPAC name is 3-ethyl-5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
PubChem CID3360513
Molecular FormulaC14H13F3N2O2
Molecular Weight298.26 g/mol
Exact Mass298.09
IUPAC Name3-ethyl-5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H13F3N2O2/c1-3-11-12(8(2)21-19-11)13(20)18-10-6-4-9(5-7-10)14(15,16)17/h4-7H,3H2,1-2H3,(H,18,20)
InChIKeyFBGJJXPVBBXMAE-UHFFFAOYSA-N
XLogP3.82
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 53.82
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-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-ethyl-5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide (CID 3360513) is 3-ethyl-5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-ethyl-5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-ethyl-5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is FBGJJXPVBBXMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2/c1-3-11-12(8(2)21-19-11)13(20)18-10-6-4-9(5-7-10)14(15,16)17/h4-7H,3H2,1-2H3,(H,18,20).
What are the key properties of 3-ethyl-5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
3-ethyl-5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 298.26 g/mol, XLogP of 3.82, 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-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 3360513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).