5-(2-fluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide

C15H12FN5O2 — CID 109292466

IUPAC5-(2-fluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
SMILESCc1cc(NC(=O)c2cnc(Nc3ccccc3F)cn2)no1
InChIInChI=1S/C15H12FN5O2/c1-9-6-13(21-23-9)20-15(22)12-7-18-14(8-17-12)19-11-5-3-2-4-10(11)16/h2-8H,1H3,(H,18,19)(H,20,21,22)
InChIKeyKKHTXDPLIZLSRA-UHFFFAOYSA-N
MW313.29 g/mol
LogP2.91
Rot. Bonds4

About 5-(2-fluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide

5-(2-fluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide (PubChem CID 109292466) has the molecular formula C15H12FN5O2 and a molecular weight of 313.29 g/mol. Its IUPAC name is 5-(2-fluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2-fluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
PubChem CID109292466
Molecular FormulaC15H12FN5O2
Molecular Weight313.29 g/mol
Exact Mass313.10
IUPAC Name5-(2-fluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
SMILESCc1cc(NC(=O)c2cnc(Nc3ccccc3F)cn2)no1
InChIInChI=1S/C15H12FN5O2/c1-9-6-13(21-23-9)20-15(22)12-7-18-14(8-17-12)19-11-5-3-2-4-10(11)16/h2-8H,1H3,(H,18,19)(H,20,21,22)
InChIKeyKKHTXDPLIZLSRA-UHFFFAOYSA-N
XLogP2.91
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide?
The IUPAC name of 5-(2-fluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide (CID 109292466) is 5-(2-fluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2-fluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(2-fluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide is Cc1cc(NC(=O)c2cnc(Nc3ccccc3F)cn2)no1.
What is the InChIKey of 5-(2-fluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide?
The InChIKey is KKHTXDPLIZLSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN5O2/c1-9-6-13(21-23-9)20-15(22)12-7-18-14(8-17-12)19-11-5-3-2-4-10(11)16/h2-8H,1H3,(H,18,19)(H,20,21,22).
What are the key properties of 5-(2-fluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide?
5-(2-fluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide has a molecular weight of 313.29 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 109292466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).