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

C13H15F3N4O2 — CID 166204221

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCC(C)(C)c1cc(NC(=O)Cn2ccc(C(F)(F)F)n2)no1
InChIInChI=1S/C13H15F3N4O2/c1-12(2,3)9-6-10(19-22-9)17-11(21)7-20-5-4-8(18-20)13(14,15)16/h4-6H,7H2,1-3H3,(H,17,19,21)
InChIKeyCJTZGVYIXBWUND-UHFFFAOYSA-N
MW316.28 g/mol
LogP2.83
Rot. Bonds3

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

N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 166204221) has the molecular formula C13H15F3N4O2 and a molecular weight of 316.28 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID166204221
Molecular FormulaC13H15F3N4O2
Molecular Weight316.28 g/mol
Exact Mass316.11
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCC(C)(C)c1cc(NC(=O)Cn2ccc(C(F)(F)F)n2)no1
InChIInChI=1S/C13H15F3N4O2/c1-12(2,3)9-6-10(19-22-9)17-11(21)7-20-5-4-8(18-20)13(14,15)16/h4-6H,7H2,1-3H3,(H,17,19,21)
InChIKeyCJTZGVYIXBWUND-UHFFFAOYSA-N
XLogP2.83
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 166204221) is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is CC(C)(C)c1cc(NC(=O)Cn2ccc(C(F)(F)F)n2)no1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is CJTZGVYIXBWUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4O2/c1-12(2,3)9-6-10(19-22-9)17-11(21)7-20-5-4-8(18-20)13(14,15)16/h4-6H,7H2,1-3H3,(H,17,19,21).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 316.28 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 166204221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).