N-[5-[5-(4-acetyl-5,5-dimethyl-1,3,4-oxadiazol-2-yl)-2-methylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide

C24H21F2N5O3 — CID 67517427

IUPACN-[5-[5-(4-acetyl-5,5-dimethyl-1,3,4-oxadiazol-2-yl)-2-methylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide
SMILESCC(=O)N1N=C(c2ccc(C)c(-c3cnc(NC(=O)c4c(F)cccc4F)cn3)c2)OC1(C)C
InChIInChI=1S/C24H21F2N5O3/c1-13-8-9-15(23-30-31(14(2)32)24(3,4)34-23)10-16(13)19-11-28-20(12-27-19)29-22(33)21-17(25)6-5-7-18(21)26/h5-12H,1-4H3,(H,28,29,33)
InChIKeyDJTASEIJNSIHPE-UHFFFAOYSA-N
MW465.46 g/mol
LogP4.26
Rot. Bonds4

About N-[5-[5-(4-acetyl-5,5-dimethyl-1,3,4-oxadiazol-2-yl)-2-methylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide

N-[5-[5-(4-acetyl-5,5-dimethyl-1,3,4-oxadiazol-2-yl)-2-methylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide (PubChem CID 67517427) has the molecular formula C24H21F2N5O3 and a molecular weight of 465.46 g/mol. Its IUPAC name is N-[5-[5-(4-acetyl-5,5-dimethyl-1,3,4-oxadiazol-2-yl)-2-methylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[5-[5-(4-acetyl-5,5-dimethyl-1,3,4-oxadiazol-2-yl)-2-methylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide
PubChem CID67517427
Molecular FormulaC24H21F2N5O3
Molecular Weight465.46 g/mol
Exact Mass465.16
IUPAC NameN-[5-[5-(4-acetyl-5,5-dimethyl-1,3,4-oxadiazol-2-yl)-2-methylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide
SMILESCC(=O)N1N=C(c2ccc(C)c(-c3cnc(NC(=O)c4c(F)cccc4F)cn3)c2)OC1(C)C
InChIInChI=1S/C24H21F2N5O3/c1-13-8-9-15(23-30-31(14(2)32)24(3,4)34-23)10-16(13)19-11-28-20(12-27-19)29-22(33)21-17(25)6-5-7-18(21)26/h5-12H,1-4H3,(H,28,29,33)
InChIKeyDJTASEIJNSIHPE-UHFFFAOYSA-N
XLogP4.26
TPSA96.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.46
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
2-fluoro-6-methyl-N-[5-[2-methyl-5-(1-methyltetrazol-5-yl)phenyl]pyrazin-2-yl]benzamide
CID 70323101
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-(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
2,6-difluoro-N-[5-(6-methylpyrazolo[1,5-a]pyridin-5-yl)-2-pyridinyl]benzamide
CID 58487449
carbon dioxide;N-[5-(2,5-dimethylphenyl)pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide
CID 161010800
2,6-difluoro-N-[6-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]-3-pyridinyl]benzamide
CID 24775811
methyl 3-[6-[(2,6-difluorobenzoyl)amino]-3-pyridinyl]-4-methylbenzoate
CID 24775151
N-[5-(2,2-dihydroxy-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide
CID 123737988
2-fluoro-N-[5-[5-(N-hydrazinylidenecarbamimidoyl)-2-methylphenyl]pyrazin-2-yl]-6-methylbenzamide
CID 70320043
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 N-[5-[5-(4-acetyl-5,5-dimethyl-1,3,4-oxadiazol-2-yl)-2-methylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide?
The IUPAC name of N-[5-[5-(4-acetyl-5,5-dimethyl-1,3,4-oxadiazol-2-yl)-2-methylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide (CID 67517427) is N-[5-[5-(4-acetyl-5,5-dimethyl-1,3,4-oxadiazol-2-yl)-2-methylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[5-[5-(4-acetyl-5,5-dimethyl-1,3,4-oxadiazol-2-yl)-2-methylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide?
The canonical SMILES for N-[5-[5-(4-acetyl-5,5-dimethyl-1,3,4-oxadiazol-2-yl)-2-methylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide is CC(=O)N1N=C(c2ccc(C)c(-c3cnc(NC(=O)c4c(F)cccc4F)cn3)c2)OC1(C)C.
What is the InChIKey of N-[5-[5-(4-acetyl-5,5-dimethyl-1,3,4-oxadiazol-2-yl)-2-methylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide?
The InChIKey is DJTASEIJNSIHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5O3/c1-13-8-9-15(23-30-31(14(2)32)24(3,4)34-23)10-16(13)19-11-28-20(12-27-19)29-22(33)21-17(25)6-5-7-18(21)26/h5-12H,1-4H3,(H,28,29,33).
What are the key properties of N-[5-[5-(4-acetyl-5,5-dimethyl-1,3,4-oxadiazol-2-yl)-2-methylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide?
N-[5-[5-(4-acetyl-5,5-dimethyl-1,3,4-oxadiazol-2-yl)-2-methylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide has a molecular weight of 465.46 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(4-acetyl-5,5-dimethyl-1,3,4-oxadiazol-2-yl)-2-methylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 67517427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).