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

C22H16F2N4O3 — CID 67515941

IUPACN-[5-[3-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)phenyl]pyrazin-2-yl]-2,6-difluorobenzamide
SMILESCC1(C)ON=C(c2cccc(-c3cnc(NC(=O)c4c(F)cccc4F)cn3)c2)C1=O
InChIInChI=1S/C22H16F2N4O3/c1-22(2)20(29)19(28-31-22)13-6-3-5-12(9-13)16-10-26-17(11-25-16)27-21(30)18-14(23)7-4-8-15(18)24/h3-11H,1-2H3,(H,26,27,30)
InChIKeyPSVYBGVNDJRLCB-UHFFFAOYSA-N
MW422.39 g/mol
LogP3.76
Rot. Bonds4

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

N-[5-[3-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)phenyl]pyrazin-2-yl]-2,6-difluorobenzamide (PubChem CID 67515941) has the molecular formula C22H16F2N4O3 and a molecular weight of 422.39 g/mol. Its IUPAC name is N-[5-[3-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)phenyl]pyrazin-2-yl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[5-[3-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)phenyl]pyrazin-2-yl]-2,6-difluorobenzamide
PubChem CID67515941
Molecular FormulaC22H16F2N4O3
Molecular Weight422.39 g/mol
Exact Mass422.12
IUPAC NameN-[5-[3-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)phenyl]pyrazin-2-yl]-2,6-difluorobenzamide
SMILESCC1(C)ON=C(c2cccc(-c3cnc(NC(=O)c4c(F)cccc4F)cn3)c2)C1=O
InChIInChI=1S/C22H16F2N4O3/c1-22(2)20(29)19(28-31-22)13-6-3-5-12(9-13)16-10-26-17(11-25-16)27-21(30)18-14(23)7-4-8-15(18)24/h3-11H,1-2H3,(H,26,27,30)
InChIKeyPSVYBGVNDJRLCB-UHFFFAOYSA-N
XLogP3.76
TPSA93.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)phenyl]pyrazin-2-yl]-2,6-difluorobenzamide?
The IUPAC name of N-[5-[3-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)phenyl]pyrazin-2-yl]-2,6-difluorobenzamide (CID 67515941) is N-[5-[3-(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-[3-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)phenyl]pyrazin-2-yl]-2,6-difluorobenzamide?
The canonical SMILES for N-[5-[3-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)phenyl]pyrazin-2-yl]-2,6-difluorobenzamide is CC1(C)ON=C(c2cccc(-c3cnc(NC(=O)c4c(F)cccc4F)cn3)c2)C1=O.
What is the InChIKey of N-[5-[3-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)phenyl]pyrazin-2-yl]-2,6-difluorobenzamide?
The InChIKey is PSVYBGVNDJRLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N4O3/c1-22(2)20(29)19(28-31-22)13-6-3-5-12(9-13)16-10-26-17(11-25-16)27-21(30)18-14(23)7-4-8-15(18)24/h3-11H,1-2H3,(H,26,27,30).
What are the key properties of N-[5-[3-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)phenyl]pyrazin-2-yl]-2,6-difluorobenzamide?
N-[5-[3-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)phenyl]pyrazin-2-yl]-2,6-difluorobenzamide has a molecular weight of 422.39 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)phenyl]pyrazin-2-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 67515941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).