2-[5-[(4-fluorophenyl)methyl]-2-methylsulfonylpyrrolo[2,3-b]pyrazin-6-yl]-1,3-oxazole

C17H13FN4O3S — CID 22504392

IUPAC2-[5-[(4-fluorophenyl)methyl]-2-methylsulfonylpyrrolo[2,3-b]pyrazin-6-yl]-1,3-oxazole
SMILESCS(=O)(=O)c1cnc2c(cc(-c3ncco3)n2Cc2ccc(F)cc2)n1
InChIInChI=1S/C17H13FN4O3S/c1-26(23,24)15-9-20-16-13(21-15)8-14(17-19-6-7-25-17)22(16)10-11-2-4-12(18)5-3-11/h2-9H,10H2,1H3
InChIKeyMVYQIHYLCNGHMT-UHFFFAOYSA-N
MW372.38 g/mol
LogP2.68
Rot. Bonds4

About 2-[5-[(4-fluorophenyl)methyl]-2-methylsulfonylpyrrolo[2,3-b]pyrazin-6-yl]-1,3-oxazole

2-[5-[(4-fluorophenyl)methyl]-2-methylsulfonylpyrrolo[2,3-b]pyrazin-6-yl]-1,3-oxazole (PubChem CID 22504392) has the molecular formula C17H13FN4O3S and a molecular weight of 372.38 g/mol. Its IUPAC name is 2-[5-[(4-fluorophenyl)methyl]-2-methylsulfonylpyrrolo[2,3-b]pyrazin-6-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[5-[(4-fluorophenyl)methyl]-2-methylsulfonylpyrrolo[2,3-b]pyrazin-6-yl]-1,3-oxazole
PubChem CID22504392
Molecular FormulaC17H13FN4O3S
Molecular Weight372.38 g/mol
Exact Mass372.07
IUPAC Name2-[5-[(4-fluorophenyl)methyl]-2-methylsulfonylpyrrolo[2,3-b]pyrazin-6-yl]-1,3-oxazole
SMILESCS(=O)(=O)c1cnc2c(cc(-c3ncco3)n2Cc2ccc(F)cc2)n1
InChIInChI=1S/C17H13FN4O3S/c1-26(23,24)15-9-20-16-13(21-15)8-14(17-19-6-7-25-17)22(16)10-11-2-4-12(18)5-3-11/h2-9H,10H2,1H3
InChIKeyMVYQIHYLCNGHMT-UHFFFAOYSA-N
XLogP2.68
TPSA90.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-fluorophenyl)methyl]-2-methylsulfonylpyrrolo[2,3-b]pyrazin-6-yl]-1,3-oxazole?
The IUPAC name of 2-[5-[(4-fluorophenyl)methyl]-2-methylsulfonylpyrrolo[2,3-b]pyrazin-6-yl]-1,3-oxazole (CID 22504392) is 2-[5-[(4-fluorophenyl)methyl]-2-methylsulfonylpyrrolo[2,3-b]pyrazin-6-yl]-1,3-oxazole.
What is the SMILES notation for 2-[5-[(4-fluorophenyl)methyl]-2-methylsulfonylpyrrolo[2,3-b]pyrazin-6-yl]-1,3-oxazole?
The canonical SMILES for 2-[5-[(4-fluorophenyl)methyl]-2-methylsulfonylpyrrolo[2,3-b]pyrazin-6-yl]-1,3-oxazole is CS(=O)(=O)c1cnc2c(cc(-c3ncco3)n2Cc2ccc(F)cc2)n1.
What is the InChIKey of 2-[5-[(4-fluorophenyl)methyl]-2-methylsulfonylpyrrolo[2,3-b]pyrazin-6-yl]-1,3-oxazole?
The InChIKey is MVYQIHYLCNGHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O3S/c1-26(23,24)15-9-20-16-13(21-15)8-14(17-19-6-7-25-17)22(16)10-11-2-4-12(18)5-3-11/h2-9H,10H2,1H3.
What are the key properties of 2-[5-[(4-fluorophenyl)methyl]-2-methylsulfonylpyrrolo[2,3-b]pyrazin-6-yl]-1,3-oxazole?
2-[5-[(4-fluorophenyl)methyl]-2-methylsulfonylpyrrolo[2,3-b]pyrazin-6-yl]-1,3-oxazole has a molecular weight of 372.38 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-fluorophenyl)methyl]-2-methylsulfonylpyrrolo[2,3-b]pyrazin-6-yl]-1,3-oxazole is sourced from PubChem (CID 22504392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).