N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methoxyphenyl]pyrazin-2-yl]-2,6-difluorobenzamide

C23H18F2N4O4 — CID 57330381

IUPACN-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methoxyphenyl]pyrazin-2-yl]-2,6-difluorobenzamide
SMILESCOc1ccc(C2=NOC(C)(C)C2=O)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1
InChIInChI=1S/C23H18F2N4O4/c1-23(2)21(30)20(29-33-23)12-7-8-17(32-3)13(9-12)16-10-27-18(11-26-16)28-22(31)19-14(24)5-4-6-15(19)25/h4-11H,1-3H3,(H,27,28,31)
InChIKeyXTRBTNQVRQZIGY-UHFFFAOYSA-N
MW452.42 g/mol
LogP3.76
Rot. Bonds5

About N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methoxyphenyl]pyrazin-2-yl]-2,6-difluorobenzamide

N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methoxyphenyl]pyrazin-2-yl]-2,6-difluorobenzamide (PubChem CID 57330381) has the molecular formula C23H18F2N4O4 and a molecular weight of 452.42 g/mol. Its IUPAC name is N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methoxyphenyl]pyrazin-2-yl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methoxyphenyl]pyrazin-2-yl]-2,6-difluorobenzamide
PubChem CID57330381
Molecular FormulaC23H18F2N4O4
Molecular Weight452.42 g/mol
Exact Mass452.13
IUPAC NameN-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methoxyphenyl]pyrazin-2-yl]-2,6-difluorobenzamide
SMILESCOc1ccc(C2=NOC(C)(C)C2=O)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1
InChIInChI=1S/C23H18F2N4O4/c1-23(2)21(30)20(29-33-23)12-7-8-17(32-3)13(9-12)16-10-27-18(11-26-16)28-22(31)19-14(24)5-4-6-15(19)25/h4-11H,1-3H3,(H,27,28,31)
InChIKeyXTRBTNQVRQZIGY-UHFFFAOYSA-N
XLogP3.76
TPSA102.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.42
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methoxyphenyl]pyrazin-2-yl]-2,6-difluorobenzamide?
The IUPAC name of N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methoxyphenyl]pyrazin-2-yl]-2,6-difluorobenzamide (CID 57330381) is N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methoxyphenyl]pyrazin-2-yl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methoxyphenyl]pyrazin-2-yl]-2,6-difluorobenzamide?
The canonical SMILES for N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methoxyphenyl]pyrazin-2-yl]-2,6-difluorobenzamide is COc1ccc(C2=NOC(C)(C)C2=O)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1.
What is the InChIKey of N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methoxyphenyl]pyrazin-2-yl]-2,6-difluorobenzamide?
The InChIKey is XTRBTNQVRQZIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N4O4/c1-23(2)21(30)20(29-33-23)12-7-8-17(32-3)13(9-12)16-10-27-18(11-26-16)28-22(31)19-14(24)5-4-6-15(19)25/h4-11H,1-3H3,(H,27,28,31).
What are the key properties of N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methoxyphenyl]pyrazin-2-yl]-2,6-difluorobenzamide?
N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methoxyphenyl]pyrazin-2-yl]-2,6-difluorobenzamide has a molecular weight of 452.42 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methoxyphenyl]pyrazin-2-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 57330381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).