2-cyclobutyl-N-[4-ethyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]-1,3-oxazole-4-carboxamide

C14H14F3N3O3 — CID 154744309

IUPAC2-cyclobutyl-N-[4-ethyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]-1,3-oxazole-4-carboxamide
SMILESCCc1c(C(F)(F)F)noc1NC(=O)c1coc(C2CCC2)n1
InChIInChI=1S/C14H14F3N3O3/c1-2-8-10(14(15,16)17)20-23-13(8)19-11(21)9-6-22-12(18-9)7-4-3-5-7/h6-7H,2-5H2,1H3,(H,19,21)
InChIKeyZVJLBKRNWPSKMY-UHFFFAOYSA-N
MW329.28 g/mol
LogP3.76
Rot. Bonds4

About 2-cyclobutyl-N-[4-ethyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]-1,3-oxazole-4-carboxamide

2-cyclobutyl-N-[4-ethyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]-1,3-oxazole-4-carboxamide (PubChem CID 154744309) has the molecular formula C14H14F3N3O3 and a molecular weight of 329.28 g/mol. Its IUPAC name is 2-cyclobutyl-N-[4-ethyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-cyclobutyl-N-[4-ethyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]-1,3-oxazole-4-carboxamide
PubChem CID154744309
Molecular FormulaC14H14F3N3O3
Molecular Weight329.28 g/mol
Exact Mass329.10
IUPAC Name2-cyclobutyl-N-[4-ethyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]-1,3-oxazole-4-carboxamide
SMILESCCc1c(C(F)(F)F)noc1NC(=O)c1coc(C2CCC2)n1
InChIInChI=1S/C14H14F3N3O3/c1-2-8-10(14(15,16)17)20-23-13(8)19-11(21)9-6-22-12(18-9)7-4-3-5-7/h6-7H,2-5H2,1H3,(H,19,21)
InChIKeyZVJLBKRNWPSKMY-UHFFFAOYSA-N
XLogP3.76
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-[4-ethyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-cyclobutyl-N-[4-ethyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]-1,3-oxazole-4-carboxamide (CID 154744309) is 2-cyclobutyl-N-[4-ethyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-cyclobutyl-N-[4-ethyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-cyclobutyl-N-[4-ethyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]-1,3-oxazole-4-carboxamide is CCc1c(C(F)(F)F)noc1NC(=O)c1coc(C2CCC2)n1.
What is the InChIKey of 2-cyclobutyl-N-[4-ethyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is ZVJLBKRNWPSKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O3/c1-2-8-10(14(15,16)17)20-23-13(8)19-11(21)9-6-22-12(18-9)7-4-3-5-7/h6-7H,2-5H2,1H3,(H,19,21).
What are the key properties of 2-cyclobutyl-N-[4-ethyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]-1,3-oxazole-4-carboxamide?
2-cyclobutyl-N-[4-ethyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 329.28 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-[4-ethyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 154744309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).