1-(3,4-difluorophenyl)-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]pyrazine-2,3-dione

C21H15F2N3O3 — CID 155977246

IUPAC1-(3,4-difluorophenyl)-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]pyrazine-2,3-dione
SMILESCc1oc(-c2ccccc2)nc1Cn1ccn(-c2ccc(F)c(F)c2)c(=O)c1=O
InChIInChI=1S/C21H15F2N3O3/c1-13-18(24-19(29-13)14-5-3-2-4-6-14)12-25-9-10-26(21(28)20(25)27)15-7-8-16(22)17(23)11-15/h2-11H,12H2,1H3
InChIKeyZKRNVTGFNCENQQ-UHFFFAOYSA-N
MW395.37 g/mol
LogP3.29
Rot. Bonds4

About 1-(3,4-difluorophenyl)-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]pyrazine-2,3-dione

1-(3,4-difluorophenyl)-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]pyrazine-2,3-dione (PubChem CID 155977246) has the molecular formula C21H15F2N3O3 and a molecular weight of 395.37 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]pyrazine-2,3-dione.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]pyrazine-2,3-dione
PubChem CID155977246
Molecular FormulaC21H15F2N3O3
Molecular Weight395.37 g/mol
Exact Mass395.11
IUPAC Name1-(3,4-difluorophenyl)-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]pyrazine-2,3-dione
SMILESCc1oc(-c2ccccc2)nc1Cn1ccn(-c2ccc(F)c(F)c2)c(=O)c1=O
InChIInChI=1S/C21H15F2N3O3/c1-13-18(24-19(29-13)14-5-3-2-4-6-14)12-25-9-10-26(21(28)20(25)27)15-7-8-16(22)17(23)11-15/h2-11H,12H2,1H3
InChIKeyZKRNVTGFNCENQQ-UHFFFAOYSA-N
XLogP3.29
TPSA70.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.37
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]pyrazine-2,3-dione?
The IUPAC name of 1-(3,4-difluorophenyl)-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]pyrazine-2,3-dione (CID 155977246) is 1-(3,4-difluorophenyl)-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]pyrazine-2,3-dione.
What is the SMILES notation for 1-(3,4-difluorophenyl)-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]pyrazine-2,3-dione?
The canonical SMILES for 1-(3,4-difluorophenyl)-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]pyrazine-2,3-dione is Cc1oc(-c2ccccc2)nc1Cn1ccn(-c2ccc(F)c(F)c2)c(=O)c1=O.
What is the InChIKey of 1-(3,4-difluorophenyl)-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]pyrazine-2,3-dione?
The InChIKey is ZKRNVTGFNCENQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3O3/c1-13-18(24-19(29-13)14-5-3-2-4-6-14)12-25-9-10-26(21(28)20(25)27)15-7-8-16(22)17(23)11-15/h2-11H,12H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]pyrazine-2,3-dione?
1-(3,4-difluorophenyl)-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]pyrazine-2,3-dione has a molecular weight of 395.37 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]pyrazine-2,3-dione is sourced from PubChem (CID 155977246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).