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

C23H18ClFN4O3 — CID 67515178

IUPAC2-chloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-6-fluorobenzamide
SMILESCc1ccc(C2=NOC(C)(C)C2=O)cc1-c1cnc(NC(=O)c2c(F)cccc2Cl)cn1
InChIInChI=1S/C23H18ClFN4O3/c1-12-7-8-13(20-21(30)23(2,3)32-29-20)9-14(12)17-10-27-18(11-26-17)28-22(31)19-15(24)5-4-6-16(19)25/h4-11H,1-3H3,(H,27,28,31)
InChIKeyKFLVVCARMXCDDZ-UHFFFAOYSA-N
MW452.87 g/mol
LogP4.58
Rot. Bonds4

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

2-chloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-6-fluorobenzamide (PubChem CID 67515178) has the molecular formula C23H18ClFN4O3 and a molecular weight of 452.87 g/mol. Its IUPAC name is 2-chloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-6-fluorobenzamide
PubChem CID67515178
Molecular FormulaC23H18ClFN4O3
Molecular Weight452.87 g/mol
Exact Mass452.11
IUPAC Name2-chloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-6-fluorobenzamide
SMILESCc1ccc(C2=NOC(C)(C)C2=O)cc1-c1cnc(NC(=O)c2c(F)cccc2Cl)cn1
InChIInChI=1S/C23H18ClFN4O3/c1-12-7-8-13(20-21(30)23(2,3)32-29-20)9-14(12)17-10-27-18(11-26-17)28-22(31)19-15(24)5-4-6-16(19)25/h4-11H,1-3H3,(H,27,28,31)
InChIKeyKFLVVCARMXCDDZ-UHFFFAOYSA-N
XLogP4.58
TPSA93.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.87
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]pyridine-2-carboxamide
CID 67515239
6-chloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]pyridine-3-carboxamide
CID 57330680
N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]cyclohexanecarboxamide
CID 67516613
2,6-difluoro-N-[5-[5-(4-hydroxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]benzamide
CID 118473086
N-[5-[5-(4-acetyl-5,5-dimethyl-1,3,4-oxadiazol-2-yl)-2-methylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide
CID 67517427
3-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-2-fluoropyridine-4-carboxamide
CID 172684563
3-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-2,5-difluorobenzamide
CID 142792838
2-fluoro-6-methyl-N-[5-[2-methyl-5-(1-methyltetrazol-5-yl)phenyl]pyrazin-2-yl]benzamide
CID 70323101
3-[3-(5-aminopyrazin-2-yl)-4-methylphenyl]-1-oxa-2-azaspiro[4.5]dec-2-en-4-one;3-(3-bromo-4-methylphenyl)-1-oxa-2-azaspiro[4.5]dec-2-en-4-one;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[2-methyl-5-(4-oxo-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl)phenyl]pyrazin-2-yl]benzamide;5-methylpyrazin-2-amine;palladium;2-(1,2,3,4-tetraphosphabicyclo[1.1.0]butan-2-yl)-4-[4-(1,2,3,4-tetraphosphabicyclo[1.1.0]butan-2-yl)-1,2,3,4-tetraphosphabicyclo[1.1.0]butan-2-yl]-1,2,3,4-tetraphosphabicyclo[1.1.0]butane
CID 162160926
N-[5-(6-chloro-2,3-dihydro-1H-inden-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;2-chloro-N-[5-(6-methyl-2,3-dihydro-1H-inden-5-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(6-methyl-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(6-methyl-2,3-dihydro-1H-inden-5-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methyl-2,3-dihydro-1H-inden-5-yl)pyrazin-2-yl]benzamide;2-fluoro-N-[5-(6-methyl-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]benzamide
CID 162060237
N-[5-(3,6-dimethyl-2-oxo-1,3-benzoxazol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide
CID 86764193
N-[5-[5-(dimethylamino)-2,4-dimethylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide
CID 123961804

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-6-fluorobenzamide (CID 67515178) is 2-chloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-6-fluorobenzamide is Cc1ccc(C2=NOC(C)(C)C2=O)cc1-c1cnc(NC(=O)c2c(F)cccc2Cl)cn1.
What is the InChIKey of 2-chloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-6-fluorobenzamide?
The InChIKey is KFLVVCARMXCDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN4O3/c1-12-7-8-13(20-21(30)23(2,3)32-29-20)9-14(12)17-10-27-18(11-26-17)28-22(31)19-15(24)5-4-6-16(19)25/h4-11H,1-3H3,(H,27,28,31).
What are the key properties of 2-chloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-6-fluorobenzamide?
2-chloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-6-fluorobenzamide has a molecular weight of 452.87 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-6-fluorobenzamide is sourced from PubChem (CID 67515178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).