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

C22H15ClF2N4O3 — CID 57330626

IUPACN-[5-[2-chloro-5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)phenyl]pyrazin-2-yl]-2,6-difluorobenzamide
SMILESCC1(C)ON=C(c2ccc(Cl)c(-c3cnc(NC(=O)c4c(F)cccc4F)cn3)c2)C1=O
InChIInChI=1S/C22H15ClF2N4O3/c1-22(2)20(30)19(29-32-22)11-6-7-13(23)12(8-11)16-9-27-17(10-26-16)28-21(31)18-14(24)4-3-5-15(18)25/h3-10H,1-2H3,(H,27,28,31)
InChIKeyLOGUYNQSINSZOC-UHFFFAOYSA-N
MW456.84 g/mol
LogP4.41
Rot. Bonds4

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

N-[5-[2-chloro-5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)phenyl]pyrazin-2-yl]-2,6-difluorobenzamide (PubChem CID 57330626) has the molecular formula C22H15ClF2N4O3 and a molecular weight of 456.84 g/mol. Its IUPAC name is N-[5-[2-chloro-5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)phenyl]pyrazin-2-yl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[5-[2-chloro-5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)phenyl]pyrazin-2-yl]-2,6-difluorobenzamide
PubChem CID57330626
Molecular FormulaC22H15ClF2N4O3
Molecular Weight456.84 g/mol
Exact Mass456.08
IUPAC NameN-[5-[2-chloro-5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)phenyl]pyrazin-2-yl]-2,6-difluorobenzamide
SMILESCC1(C)ON=C(c2ccc(Cl)c(-c3cnc(NC(=O)c4c(F)cccc4F)cn3)c2)C1=O
InChIInChI=1S/C22H15ClF2N4O3/c1-22(2)20(30)19(29-32-22)11-6-7-13(23)12(8-11)16-9-27-17(10-26-16)28-21(31)18-14(24)4-3-5-15(18)25/h3-10H,1-2H3,(H,27,28,31)
InChIKeyLOGUYNQSINSZOC-UHFFFAOYSA-N
XLogP4.41
TPSA93.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.84
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-[2-chloro-5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)phenyl]pyrazin-2-yl]-2,6-difluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-(5-(5,5-Dimethyl-4-oxo-4,5-dihydroisoxazol-3-yl)-2-methylphenyl)pyrazine-2-yl)-2,6-difluorobenzamide
CID 57330317
US10292981, Example 4
CID 57330319
N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-ethylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide
CID 57330320
2-Chloro-N-(5-(5-(5,5-dimethyl-4-oxo-4,5-dihydroisoxazol-3-yl)-2-methylphenyl)pyrazin-2-yl)benzamide
CID 57330623
US10292981, Example 80
CID 67515178
US10292981, Example 114
CID 67515995
US10292981, Example 67
CID 69675936
N-[5-[3-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide
CID 89764054
US10292981, Example 53
CID 89771956
US10292981, Example 107
CID 57330733
US10292981, Example 8
CID 67515311
N-[5-[(2-acetamidoethylamino)methyl]-2-pyridinyl]-2-chloro-3-(3,4,5-trifluorophenyl)benzamide
CID 166628744

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-chloro-5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)phenyl]pyrazin-2-yl]-2,6-difluorobenzamide?
The IUPAC name of N-[5-[2-chloro-5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)phenyl]pyrazin-2-yl]-2,6-difluorobenzamide (CID 57330626) is N-[5-[2-chloro-5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)phenyl]pyrazin-2-yl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[5-[2-chloro-5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)phenyl]pyrazin-2-yl]-2,6-difluorobenzamide?
The canonical SMILES for N-[5-[2-chloro-5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)phenyl]pyrazin-2-yl]-2,6-difluorobenzamide is CC1(C)ON=C(c2ccc(Cl)c(-c3cnc(NC(=O)c4c(F)cccc4F)cn3)c2)C1=O.
What is the InChIKey of N-[5-[2-chloro-5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)phenyl]pyrazin-2-yl]-2,6-difluorobenzamide?
The InChIKey is LOGUYNQSINSZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF2N4O3/c1-22(2)20(30)19(29-32-22)11-6-7-13(23)12(8-11)16-9-27-17(10-26-16)28-21(31)18-14(24)4-3-5-15(18)25/h3-10H,1-2H3,(H,27,28,31).
What are the key properties of N-[5-[2-chloro-5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)phenyl]pyrazin-2-yl]-2,6-difluorobenzamide?
N-[5-[2-chloro-5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)phenyl]pyrazin-2-yl]-2,6-difluorobenzamide has a molecular weight of 456.84 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-chloro-5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)phenyl]pyrazin-2-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 57330626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).