N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide

C16H9F4N5O3 — CID 71788471

IUPACN-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccc(F)c(C(F)(F)F)c1)c1coc(NC(=O)c2cnccn2)n1
InChIInChI=1S/C16H9F4N5O3/c17-10-2-1-8(5-9(10)16(18,19)20)23-14(27)12-7-28-15(24-12)25-13(26)11-6-21-3-4-22-11/h1-7H,(H,23,27)(H,24,25,26)
InChIKeyWWGAXRGPTFAYFK-UHFFFAOYSA-N
MW395.27 g/mol
LogP3.13
Rot. Bonds4

About N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide

N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide (PubChem CID 71788471) has the molecular formula C16H9F4N5O3 and a molecular weight of 395.27 g/mol. Its IUPAC name is N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide
PubChem CID71788471
Molecular FormulaC16H9F4N5O3
Molecular Weight395.27 g/mol
Exact Mass395.06
IUPAC NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccc(F)c(C(F)(F)F)c1)c1coc(NC(=O)c2cnccn2)n1
InChIInChI=1S/C16H9F4N5O3/c17-10-2-1-8(5-9(10)16(18,19)20)23-14(27)12-7-28-15(24-12)25-13(26)11-6-21-3-4-22-11/h1-7H,(H,23,27)(H,24,25,26)
InChIKeyWWGAXRGPTFAYFK-UHFFFAOYSA-N
XLogP3.13
TPSA110.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.27
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 71788502
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 55142680
4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 62159635
5-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 81312479
2-benzamido-N-(3,4-difluorophenyl)-1,3-oxazole-4-carboxamide
CID 52907899
6-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 115497606
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 71788477
N-(3-chloro-4-fluorophenyl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515189
N-(3,4-dibromophenyl)pyrazine-2-carboxamide
CID 1221988
N-(3-fluoro-4-nitrophenyl)pyrazine-2-carboxamide
CID 110461743
N-(1,3-benzoxazol-6-yl)pyrazine-2-carboxamide
CID 110744615
N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 71884102

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide (CID 71788471) is N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide is O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1coc(NC(=O)c2cnccn2)n1.
What is the InChIKey of N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide?
The InChIKey is WWGAXRGPTFAYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F4N5O3/c17-10-2-1-8(5-9(10)16(18,19)20)23-14(27)12-7-28-15(24-12)25-13(26)11-6-21-3-4-22-11/h1-7H,(H,23,27)(H,24,25,26).
What are the key properties of N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide?
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide has a molecular weight of 395.27 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 71788471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).