N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-2-(trifluoromethyl)pyrimidine-4-carboxamide

C12H11F3N4O2 — CID 166309336

IUPACN-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-2-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESCCc1noc(C)c1NC(=O)c1ccnc(C(F)(F)F)n1
InChIInChI=1S/C12H11F3N4O2/c1-3-7-9(6(2)21-19-7)18-10(20)8-4-5-16-11(17-8)12(13,14)15/h4-5H,3H2,1-2H3,(H,18,20)
InChIKeyXZYSBIMSEUPGSA-UHFFFAOYSA-N
MW300.24 g/mol
LogP2.61
Rot. Bonds3

About N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-2-(trifluoromethyl)pyrimidine-4-carboxamide

N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-2-(trifluoromethyl)pyrimidine-4-carboxamide (PubChem CID 166309336) has the molecular formula C12H11F3N4O2 and a molecular weight of 300.24 g/mol. Its IUPAC name is N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-2-(trifluoromethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-2-(trifluoromethyl)pyrimidine-4-carboxamide
PubChem CID166309336
Molecular FormulaC12H11F3N4O2
Molecular Weight300.24 g/mol
Exact Mass300.08
IUPAC NameN-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-2-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESCCc1noc(C)c1NC(=O)c1ccnc(C(F)(F)F)n1
InChIInChI=1S/C12H11F3N4O2/c1-3-7-9(6(2)21-19-7)18-10(20)8-4-5-16-11(17-8)12(13,14)15/h4-5H,3H2,1-2H3,(H,18,20)
InChIKeyXZYSBIMSEUPGSA-UHFFFAOYSA-N
XLogP2.61
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-pyridazin-4-yl-2-(trifluoromethyl)pyrimidine-4-carboxamide
CID 53493105
2-bromo-1-[2-(trifluoromethyl)pyrimidin-4-yl]ethanone
CID 90100058
N,N-dimethyl-2-(trifluoromethyl)pyrimidine-4-carboxamide
CID 143232156
N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-5-(2-fluorophenyl)thiophene-2-carboxamide
CID 119042906
N-(2,6-diethylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17173863
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 8896388
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17174025
1-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-(2-hydroxy-2-phenylpropyl)urea
CID 109397223
1-[2-(difluoromethoxy)-6-methylphenyl]-3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)urea
CID 75457913
1-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)urea
CID 86795561
1-(2-cyclopropylpyrimidin-5-yl)-3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)urea
CID 86792399
1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)urea
CID 109397194

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-2-(trifluoromethyl)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-2-(trifluoromethyl)pyrimidine-4-carboxamide (CID 166309336) is N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-2-(trifluoromethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-2-(trifluoromethyl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-2-(trifluoromethyl)pyrimidine-4-carboxamide is CCc1noc(C)c1NC(=O)c1ccnc(C(F)(F)F)n1.
What is the InChIKey of N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-2-(trifluoromethyl)pyrimidine-4-carboxamide?
The InChIKey is XZYSBIMSEUPGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O2/c1-3-7-9(6(2)21-19-7)18-10(20)8-4-5-16-11(17-8)12(13,14)15/h4-5H,3H2,1-2H3,(H,18,20).
What are the key properties of N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-2-(trifluoromethyl)pyrimidine-4-carboxamide?
N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-2-(trifluoromethyl)pyrimidine-4-carboxamide has a molecular weight of 300.24 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-2-(trifluoromethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 166309336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).