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

C23H18F2N4O3 — CID 142792838

IUPAC3-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-2,5-difluorobenzamide
SMILESCc1ccc(C2=NOC(C)(C)C2=O)cc1-c1cnc(-c2cc(F)cc(C(N)=O)c2F)cn1
InChIInChI=1S/C23H18F2N4O3/c1-11-4-5-12(20-21(30)23(2,3)32-29-20)6-14(11)17-9-28-18(10-27-17)15-7-13(24)8-16(19(15)25)22(26)31/h4-10H,1-3H3,(H2,26,31)
InChIKeyQDUKOAXCFWQGMZ-UHFFFAOYSA-N
MW436.42 g/mol
LogP3.58
Rot. Bonds4

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

3-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-2,5-difluorobenzamide (PubChem CID 142792838) has the molecular formula C23H18F2N4O3 and a molecular weight of 436.42 g/mol. Its IUPAC name is 3-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-2,5-difluorobenzamide.

Molecular Properties

Compound Name3-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-2,5-difluorobenzamide
PubChem CID142792838
Molecular FormulaC23H18F2N4O3
Molecular Weight436.42 g/mol
Exact Mass436.13
IUPAC Name3-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-2,5-difluorobenzamide
SMILESCc1ccc(C2=NOC(C)(C)C2=O)cc1-c1cnc(-c2cc(F)cc(C(N)=O)c2F)cn1
InChIInChI=1S/C23H18F2N4O3/c1-11-4-5-12(20-21(30)23(2,3)32-29-20)6-14(11)17-9-28-18(10-27-17)15-7-13(24)8-16(19(15)25)22(26)31/h4-10H,1-3H3,(H2,26,31)
InChIKeyQDUKOAXCFWQGMZ-UHFFFAOYSA-N
XLogP3.58
TPSA107.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-2,5-difluorobenzamide?
The IUPAC name of 3-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-2,5-difluorobenzamide (CID 142792838) is 3-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-2,5-difluorobenzamide.
What is the SMILES notation for 3-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-2,5-difluorobenzamide?
The canonical SMILES for 3-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-2,5-difluorobenzamide is Cc1ccc(C2=NOC(C)(C)C2=O)cc1-c1cnc(-c2cc(F)cc(C(N)=O)c2F)cn1.
What is the InChIKey of 3-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-2,5-difluorobenzamide?
The InChIKey is QDUKOAXCFWQGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N4O3/c1-11-4-5-12(20-21(30)23(2,3)32-29-20)6-14(11)17-9-28-18(10-27-17)15-7-13(24)8-16(19(15)25)22(26)31/h4-10H,1-3H3,(H2,26,31).
What are the key properties of 3-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-2,5-difluorobenzamide?
3-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-2,5-difluorobenzamide has a molecular weight of 436.42 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-2,5-difluorobenzamide is sourced from PubChem (CID 142792838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).