2,6-difluoro-N-[5-[5-(4-hydroxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]benzamide

C23H20F2N4O3 — CID 118473086

IUPAC2,6-difluoro-N-[5-[5-(4-hydroxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]benzamide
SMILESCc1ccc(C2=NOC(C)(C)C2O)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1
InChIInChI=1S/C23H20F2N4O3/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/h4-11,21,30H,1-3H3,(H,27,28,31)
InChIKeyLARRWNWCNNWGKJ-UHFFFAOYSA-N
MW438.43 g/mol
LogP3.86
Rot. Bonds4

About 2,6-difluoro-N-[5-[5-(4-hydroxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]benzamide

2,6-difluoro-N-[5-[5-(4-hydroxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]benzamide (PubChem CID 118473086) has the molecular formula C23H20F2N4O3 and a molecular weight of 438.43 g/mol. Its IUPAC name is 2,6-difluoro-N-[5-[5-(4-hydroxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[5-[5-(4-hydroxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]benzamide
PubChem CID118473086
Molecular FormulaC23H20F2N4O3
Molecular Weight438.43 g/mol
Exact Mass438.15
IUPAC Name2,6-difluoro-N-[5-[5-(4-hydroxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]benzamide
SMILESCc1ccc(C2=NOC(C)(C)C2O)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1
InChIInChI=1S/C23H20F2N4O3/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/h4-11,21,30H,1-3H3,(H,27,28,31)
InChIKeyLARRWNWCNNWGKJ-UHFFFAOYSA-N
XLogP3.86
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.43
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-6-fluorobenzamide
CID 67515178
N-[5-[5-(4-acetyl-5,5-dimethyl-1,3,4-oxadiazol-2-yl)-2-methylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide
CID 67517427
2-fluoro-6-methyl-N-[5-[2-methyl-5-(1-methyltetrazol-5-yl)phenyl]pyrazin-2-yl]benzamide
CID 70323101
N-[5-[5-(dimethylamino)-2,4-dimethylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide
CID 123961804
2,6-difluoro-N-[6-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]-3-pyridinyl]benzamide
CID 24775811
N-[5-(3,6-dimethyl-2-oxo-1,3-benzoxazol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide
CID 86764193
carbon dioxide;N-[5-(2,5-dimethylphenyl)pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide
CID 161010800
N-[6-(2,5-dimethylphenyl)-3-pyridinyl]-2,6-difluorobenzamide
CID 70311383
methyl 3-[6-[(2,6-difluorobenzoyl)amino]-3-pyridinyl]-4-methylbenzoate
CID 24775151
2-fluoro-N-[5-[5-(N-hydrazinylidenecarbamimidoyl)-2-methylphenyl]pyrazin-2-yl]-6-methylbenzamide
CID 70320043
3-[3-[4-[(2,6-difluorobenzoyl)amino]phenyl]-4-methylphenyl]-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 67515366
N-[5-(5-bromo-2-methoxy-3-pyridinyl)pyrazin-2-yl]-2,6-difluorobenzamide
CID 11589845

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[5-[5-(4-hydroxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]benzamide?
The IUPAC name of 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) is 2,6-difluoro-N-[5-[5-(4-hydroxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[5-[5-(4-hydroxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[5-[5-(4-hydroxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]benzamide is Cc1ccc(C2=NOC(C)(C)C2O)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1.
What is the InChIKey of 2,6-difluoro-N-[5-[5-(4-hydroxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]benzamide?
The InChIKey is LARRWNWCNNWGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N4O3/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/h4-11,21,30H,1-3H3,(H,27,28,31).
What are the key properties of 2,6-difluoro-N-[5-[5-(4-hydroxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]benzamide?
2,6-difluoro-N-[5-[5-(4-hydroxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]benzamide has a molecular weight of 438.43 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[5-[5-(4-hydroxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]benzamide is sourced from PubChem (CID 118473086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).