N-(2,4-difluorophenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide

C15H11F2N5O2 — CID 109294506

IUPACN-(2,4-difluorophenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide
SMILESCc1cc(Nc2cnc(C(=O)Nc3ccc(F)cc3F)cn2)no1
InChIInChI=1S/C15H11F2N5O2/c1-8-4-13(22-24-8)21-14-7-18-12(6-19-14)15(23)20-11-3-2-9(16)5-10(11)17/h2-7H,1H3,(H,20,23)(H,19,21,22)
InChIKeyMXQXRIQYGHLCFO-UHFFFAOYSA-N
MW331.28 g/mol
LogP3.05
Rot. Bonds4

About N-(2,4-difluorophenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide

N-(2,4-difluorophenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide (PubChem CID 109294506) has the molecular formula C15H11F2N5O2 and a molecular weight of 331.28 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide
PubChem CID109294506
Molecular FormulaC15H11F2N5O2
Molecular Weight331.28 g/mol
Exact Mass331.09
IUPAC NameN-(2,4-difluorophenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide
SMILESCc1cc(Nc2cnc(C(=O)Nc3ccc(F)cc3F)cn2)no1
InChIInChI=1S/C15H11F2N5O2/c1-8-4-13(22-24-8)21-14-7-18-12(6-19-14)15(23)20-11-3-2-9(16)5-10(11)17/h2-7H,1H3,(H,20,23)(H,19,21,22)
InChIKeyMXQXRIQYGHLCFO-UHFFFAOYSA-N
XLogP3.05
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.28
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide (CID 109294506) is N-(2,4-difluorophenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide is Cc1cc(Nc2cnc(C(=O)Nc3ccc(F)cc3F)cn2)no1.
What is the InChIKey of N-(2,4-difluorophenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide?
The InChIKey is MXQXRIQYGHLCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N5O2/c1-8-4-13(22-24-8)21-14-7-18-12(6-19-14)15(23)20-11-3-2-9(16)5-10(11)17/h2-7H,1H3,(H,20,23)(H,19,21,22).
What are the key properties of N-(2,4-difluorophenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide?
N-(2,4-difluorophenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide has a molecular weight of 331.28 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 109294506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).