N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C11H11F3N4O2 — CID 19531012

IUPACN-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1noc(C)c1NC(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H11F3N4O2/c1-6-10(7(2)20-17-6)15-9(19)5-18-4-3-8(16-18)11(12,13)14/h3-4H,5H2,1-2H3,(H,15,19)
InChIKeyIFKRUIOBVWNYGV-UHFFFAOYSA-N
MW288.23 g/mol
LogP2.15
Rot. Bonds3

About N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 19531012) has the molecular formula C11H11F3N4O2 and a molecular weight of 288.23 g/mol. Its IUPAC name is N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID19531012
Molecular FormulaC11H11F3N4O2
Molecular Weight288.23 g/mol
Exact Mass288.08
IUPAC NameN-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1noc(C)c1NC(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H11F3N4O2/c1-6-10(7(2)20-17-6)15-9(19)5-18-4-3-8(16-18)11(12,13)14/h3-4H,5H2,1-2H3,(H,15,19)
InChIKeyIFKRUIOBVWNYGV-UHFFFAOYSA-N
XLogP2.15
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 19531012) is N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is Cc1noc(C)c1NC(=O)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is IFKRUIOBVWNYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O2/c1-6-10(7(2)20-17-6)15-9(19)5-18-4-3-8(16-18)11(12,13)14/h3-4H,5H2,1-2H3,(H,15,19).
What are the key properties of N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 288.23 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 19531012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).