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

C23H18F2N4O3 — CID 57330621

IUPACN-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-2,4-difluorobenzamide
SMILESCc1ccc(C2=NOC(C)(C)C2=O)cc1-c1cnc(NC(=O)c2ccc(F)cc2F)cn1
InChIInChI=1S/C23H18F2N4O3/c1-12-4-5-13(20-21(30)23(2,3)32-29-20)8-16(12)18-10-27-19(11-26-18)28-22(31)15-7-6-14(24)9-17(15)25/h4-11H,1-3H3,(H,27,28,31)
InChIKeyVWNGHIAJEYWFNZ-UHFFFAOYSA-N
MW436.42 g/mol
LogP4.06
Rot. Bonds4

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

N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-2,4-difluorobenzamide (PubChem CID 57330621) has the molecular formula C23H18F2N4O3 and a molecular weight of 436.42 g/mol. Its IUPAC name is N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-2,4-difluorobenzamide
PubChem CID57330621
Molecular FormulaC23H18F2N4O3
Molecular Weight436.42 g/mol
Exact Mass436.13
IUPAC NameN-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-2,4-difluorobenzamide
SMILESCc1ccc(C2=NOC(C)(C)C2=O)cc1-c1cnc(NC(=O)c2ccc(F)cc2F)cn1
InChIInChI=1S/C23H18F2N4O3/c1-12-4-5-13(20-21(30)23(2,3)32-29-20)8-16(12)18-10-27-19(11-26-18)28-22(31)15-7-6-14(24)9-17(15)25/h4-11H,1-3H3,(H,27,28,31)
InChIKeyVWNGHIAJEYWFNZ-UHFFFAOYSA-N
XLogP4.06
TPSA93.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.42
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-methylphenyl]pyrazin-2-yl]-2,4-difluorobenzamide?
The IUPAC name of N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-2,4-difluorobenzamide (CID 57330621) is N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-2,4-difluorobenzamide?
The canonical SMILES for N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-2,4-difluorobenzamide is Cc1ccc(C2=NOC(C)(C)C2=O)cc1-c1cnc(NC(=O)c2ccc(F)cc2F)cn1.
What is the InChIKey of N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-2,4-difluorobenzamide?
The InChIKey is VWNGHIAJEYWFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N4O3/c1-12-4-5-13(20-21(30)23(2,3)32-29-20)8-16(12)18-10-27-19(11-26-18)28-22(31)15-7-6-14(24)9-17(15)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-methylphenyl]pyrazin-2-yl]-2,4-difluorobenzamide?
N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-2,4-difluorobenzamide has a molecular weight of 436.42 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 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-methylphenyl]pyrazin-2-yl]-2,4-difluorobenzamide is sourced from PubChem (CID 57330621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).