N-[(2-fluorophenyl)methyl]-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide

C16H12FN5O3 — CID 71788502

IUPACN-[(2-fluorophenyl)methyl]-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1ccccc1F)c1coc(NC(=O)c2cnccn2)n1
InChIInChI=1S/C16H12FN5O3/c17-11-4-2-1-3-10(11)7-20-14(23)13-9-25-16(21-13)22-15(24)12-8-18-5-6-19-12/h1-6,8-9H,7H2,(H,20,23)(H,21,22,24)
InChIKeySSMYPYOLDIQVHI-UHFFFAOYSA-N
MW341.30 g/mol
LogP1.79
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide

N-[(2-fluorophenyl)methyl]-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide (PubChem CID 71788502) has the molecular formula C16H12FN5O3 and a molecular weight of 341.30 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide
PubChem CID71788502
Molecular FormulaC16H12FN5O3
Molecular Weight341.30 g/mol
Exact Mass341.09
IUPAC NameN-[(2-fluorophenyl)methyl]-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1ccccc1F)c1coc(NC(=O)c2cnccn2)n1
InChIInChI=1S/C16H12FN5O3/c17-11-4-2-1-3-10(11)7-20-14(23)13-9-25-16(21-13)22-15(24)12-8-18-5-6-19-12/h1-6,8-9H,7H2,(H,20,23)(H,21,22,24)
InChIKeySSMYPYOLDIQVHI-UHFFFAOYSA-N
XLogP1.79
TPSA110.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.30
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-phenylbutan-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 71788453
N-[(4-chloro-2-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 110482106
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 71788471
N-[(2-fluorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 110689474
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 71788477
N-[(2-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide
CID 8870889
N-[(2-nitrophenyl)methyl]pyrazine-2-carboxamide
CID 47249635
N'-(2-naphthalen-1-ylacetyl)pyrazine-2-carbohydrazide
CID 24638040
N-[(2R,3R,6S)-6-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]pyrazine-2-carboxamide
CID 54639879
N-[(2R,3S,6S)-6-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]pyrazine-2-carboxamide
CID 54639875
6-fluoro-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 115496596
N-[(2R,3S,6S)-6-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]pyrazine-2-carboxamide
CID 54640884

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide (CID 71788502) is N-[(2-fluorophenyl)methyl]-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide is O=C(NCc1ccccc1F)c1coc(NC(=O)c2cnccn2)n1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide?
The InChIKey is SSMYPYOLDIQVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN5O3/c17-11-4-2-1-3-10(11)7-20-14(23)13-9-25-16(21-13)22-15(24)12-8-18-5-6-19-12/h1-6,8-9H,7H2,(H,20,23)(H,21,22,24).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide?
N-[(2-fluorophenyl)methyl]-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide has a molecular weight of 341.30 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 71788502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).