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

C23H19FN4O3 — CID 67515485

IUPACN-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-4-fluorobenzamide
SMILESCc1ccc(C2=NOC(C)(C)C2=O)cc1-c1cnc(NC(=O)c2ccc(F)cc2)cn1
InChIInChI=1S/C23H19FN4O3/c1-13-4-5-15(20-21(29)23(2,3)31-28-20)10-17(13)18-11-26-19(12-25-18)27-22(30)14-6-8-16(24)9-7-14/h4-12H,1-3H3,(H,26,27,30)
InChIKeyKCEQOYUWLJMBQM-UHFFFAOYSA-N
MW418.43 g/mol
LogP3.93
Rot. Bonds4

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

N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-4-fluorobenzamide (PubChem CID 67515485) has the molecular formula C23H19FN4O3 and a molecular weight of 418.43 g/mol. Its IUPAC name is N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-4-fluorobenzamide
PubChem CID67515485
Molecular FormulaC23H19FN4O3
Molecular Weight418.43 g/mol
Exact Mass418.14
IUPAC NameN-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-4-fluorobenzamide
SMILESCc1ccc(C2=NOC(C)(C)C2=O)cc1-c1cnc(NC(=O)c2ccc(F)cc2)cn1
InChIInChI=1S/C23H19FN4O3/c1-13-4-5-15(20-21(29)23(2,3)31-28-20)10-17(13)18-11-26-19(12-25-18)27-22(30)14-6-8-16(24)9-7-14/h4-12H,1-3H3,(H,26,27,30)
InChIKeyKCEQOYUWLJMBQM-UHFFFAOYSA-N
XLogP3.93
TPSA93.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 53.93
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]-4-fluorobenzamide?
The IUPAC name of N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-4-fluorobenzamide (CID 67515485) is N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-4-fluorobenzamide?
The canonical SMILES for N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-4-fluorobenzamide is Cc1ccc(C2=NOC(C)(C)C2=O)cc1-c1cnc(NC(=O)c2ccc(F)cc2)cn1.
What is the InChIKey of N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-4-fluorobenzamide?
The InChIKey is KCEQOYUWLJMBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O3/c1-13-4-5-15(20-21(29)23(2,3)31-28-20)10-17(13)18-11-26-19(12-25-18)27-22(30)14-6-8-16(24)9-7-14/h4-12H,1-3H3,(H,26,27,30).
What are the key properties of N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-4-fluorobenzamide?
N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-4-fluorobenzamide has a molecular weight of 418.43 g/mol, XLogP of 3.93, 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]-4-fluorobenzamide is sourced from PubChem (CID 67515485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).