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

C25H22F2N4O3 — CID 67515311

IUPACN-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-propan-2-ylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide
SMILESCC(C)c1ccc(C2=NOC(C)(C)C2=O)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1
InChIInChI=1S/C25H22F2N4O3/c1-13(2)15-9-8-14(22-23(32)25(3,4)34-31-22)10-16(15)19-11-29-20(12-28-19)30-24(33)21-17(26)6-5-7-18(21)27/h5-13H,1-4H3,(H,29,30,33)
InChIKeyRTCKXTOTTYWPLF-UHFFFAOYSA-N
MW464.47 g/mol
LogP4.88
Rot. Bonds5

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

N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-propan-2-ylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide (PubChem CID 67515311) has the molecular formula C25H22F2N4O3 and a molecular weight of 464.47 g/mol. Its IUPAC name is N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-propan-2-ylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-propan-2-ylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide
PubChem CID67515311
Molecular FormulaC25H22F2N4O3
Molecular Weight464.47 g/mol
Exact Mass464.17
IUPAC NameN-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-propan-2-ylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide
SMILESCC(C)c1ccc(C2=NOC(C)(C)C2=O)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1
InChIInChI=1S/C25H22F2N4O3/c1-13(2)15-9-8-14(22-23(32)25(3,4)34-31-22)10-16(15)19-11-29-20(12-28-19)30-24(33)21-17(26)6-5-7-18(21)27/h5-13H,1-4H3,(H,29,30,33)
InChIKeyRTCKXTOTTYWPLF-UHFFFAOYSA-N
XLogP4.88
TPSA93.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.47
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-propan-2-ylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide?
The IUPAC name of N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-propan-2-ylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide (CID 67515311) is N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-propan-2-ylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-propan-2-ylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide?
The canonical SMILES for N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-propan-2-ylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide is CC(C)c1ccc(C2=NOC(C)(C)C2=O)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1.
What is the InChIKey of N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-propan-2-ylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide?
The InChIKey is RTCKXTOTTYWPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N4O3/c1-13(2)15-9-8-14(22-23(32)25(3,4)34-31-22)10-16(15)19-11-29-20(12-28-19)30-24(33)21-17(26)6-5-7-18(21)27/h5-13H,1-4H3,(H,29,30,33).
What are the key properties of N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-propan-2-ylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide?
N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-propan-2-ylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide has a molecular weight of 464.47 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-propan-2-ylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 67515311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).