N-(2,6-difluorophenyl)-5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazine-2-carboxamide

C23H18F2N4O3 — CID 57330782

IUPACN-(2,6-difluorophenyl)-5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazine-2-carboxamide
SMILESCc1ccc(C2=NOC(C)(C)C2=O)cc1-c1cnc(C(=O)Nc2c(F)cccc2F)cn1
InChIInChI=1S/C23H18F2N4O3/c1-12-7-8-13(19-21(30)23(2,3)32-29-19)9-14(12)17-10-27-18(11-26-17)22(31)28-20-15(24)5-4-6-16(20)25/h4-11H,1-3H3,(H,28,31)
InChIKeyKDVVIMMGQHFHBT-UHFFFAOYSA-N
MW436.42 g/mol
LogP4.06
Rot. Bonds4

About N-(2,6-difluorophenyl)-5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazine-2-carboxamide

N-(2,6-difluorophenyl)-5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazine-2-carboxamide (PubChem CID 57330782) has the molecular formula C23H18F2N4O3 and a molecular weight of 436.42 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazine-2-carboxamide
PubChem CID57330782
Molecular FormulaC23H18F2N4O3
Molecular Weight436.42 g/mol
Exact Mass436.13
IUPAC NameN-(2,6-difluorophenyl)-5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazine-2-carboxamide
SMILESCc1ccc(C2=NOC(C)(C)C2=O)cc1-c1cnc(C(=O)Nc2c(F)cccc2F)cn1
InChIInChI=1S/C23H18F2N4O3/c1-12-7-8-13(19-21(30)23(2,3)32-29-19)9-14(12)17-10-27-18(11-26-17)22(31)28-20-15(24)5-4-6-16(20)25/h4-11H,1-3H3,(H,28,31)
InChIKeyKDVVIMMGQHFHBT-UHFFFAOYSA-N
XLogP4.06
TPSA93.54 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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazine-2-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazine-2-carboxamide (CID 57330782) is N-(2,6-difluorophenyl)-5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazine-2-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazine-2-carboxamide is Cc1ccc(C2=NOC(C)(C)C2=O)cc1-c1cnc(C(=O)Nc2c(F)cccc2F)cn1.
What is the InChIKey of N-(2,6-difluorophenyl)-5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazine-2-carboxamide?
The InChIKey is KDVVIMMGQHFHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N4O3/c1-12-7-8-13(19-21(30)23(2,3)32-29-19)9-14(12)17-10-27-18(11-26-17)22(31)28-20-15(24)5-4-6-16(20)25/h4-11H,1-3H3,(H,28,31).
What are the key properties of N-(2,6-difluorophenyl)-5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazine-2-carboxamide?
N-(2,6-difluorophenyl)-5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazine-2-carboxamide has a molecular weight of 436.42 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 57330782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).