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

C24H22F2N4O3 — CID 57330440

IUPAC2,6-difluoro-N-[5-[5-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]benzamide
SMILESCOC1C(c2ccc(C)c(-c3cnc(NC(=O)c4c(F)cccc4F)cn3)c2)=NOC1(C)C
InChIInChI=1S/C24H22F2N4O3/c1-13-8-9-14(21-22(32-4)24(2,3)33-30-21)10-15(13)18-11-28-19(12-27-18)29-23(31)20-16(25)6-5-7-17(20)26/h5-12,22H,1-4H3,(H,28,29,31)
InChIKeyRWYVQTQCSDNUNW-UHFFFAOYSA-N
MW452.46 g/mol
LogP4.51
Rot. Bonds5

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

2,6-difluoro-N-[5-[5-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]benzamide (PubChem CID 57330440) has the molecular formula C24H22F2N4O3 and a molecular weight of 452.46 g/mol. Its IUPAC name is 2,6-difluoro-N-[5-[5-(4-methoxy-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-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]benzamide
PubChem CID57330440
Molecular FormulaC24H22F2N4O3
Molecular Weight452.46 g/mol
Exact Mass452.17
IUPAC Name2,6-difluoro-N-[5-[5-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]benzamide
SMILESCOC1C(c2ccc(C)c(-c3cnc(NC(=O)c4c(F)cccc4F)cn3)c2)=NOC1(C)C
InChIInChI=1S/C24H22F2N4O3/c1-13-8-9-14(21-22(32-4)24(2,3)33-30-21)10-15(13)18-11-28-19(12-27-18)29-23(31)20-16(25)6-5-7-17(20)26/h5-12,22H,1-4H3,(H,28,29,31)
InChIKeyRWYVQTQCSDNUNW-UHFFFAOYSA-N
XLogP4.51
TPSA85.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.46
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[5-[5-(4-methoxy-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-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]benzamide (CID 57330440) is 2,6-difluoro-N-[5-[5-(4-methoxy-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-methoxy-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-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]benzamide is COC1C(c2ccc(C)c(-c3cnc(NC(=O)c4c(F)cccc4F)cn3)c2)=NOC1(C)C.
What is the InChIKey of 2,6-difluoro-N-[5-[5-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]benzamide?
The InChIKey is RWYVQTQCSDNUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4O3/c1-13-8-9-14(21-22(32-4)24(2,3)33-30-21)10-15(13)18-11-28-19(12-27-18)29-23(31)20-16(25)6-5-7-17(20)26/h5-12,22H,1-4H3,(H,28,29,31).
What are the key properties of 2,6-difluoro-N-[5-[5-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]benzamide?
2,6-difluoro-N-[5-[5-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]benzamide has a molecular weight of 452.46 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[5-[5-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]benzamide is sourced from PubChem (CID 57330440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).