2-(3,5-difluorophenyl)-4-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole

C21H23F2N5O — CID 25385681

IUPAC2-(3,5-difluorophenyl)-4-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole
SMILESCc1cnc(C)c(N2CCN(Cc3nc(-c4cc(F)cc(F)c4)oc3C)CC2)n1
InChIInChI=1S/C21H23F2N5O/c1-13-11-24-14(2)20(25-13)28-6-4-27(5-7-28)12-19-15(3)29-21(26-19)16-8-17(22)10-18(23)9-16/h8-11H,4-7,12H2,1-3H3
InChIKeyXUFXXXIUQVVCDJ-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.66
Rot. Bonds4

About 2-(3,5-difluorophenyl)-4-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole

2-(3,5-difluorophenyl)-4-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole (PubChem CID 25385681) has the molecular formula C21H23F2N5O and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-4-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-4-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole
PubChem CID25385681
Molecular FormulaC21H23F2N5O
Molecular Weight399.45 g/mol
Exact Mass399.19
IUPAC Name2-(3,5-difluorophenyl)-4-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole
SMILESCc1cnc(C)c(N2CCN(Cc3nc(-c4cc(F)cc(F)c4)oc3C)CC2)n1
InChIInChI=1S/C21H23F2N5O/c1-13-11-24-14(2)20(25-13)28-6-4-27(5-7-28)12-19-15(3)29-21(26-19)16-8-17(22)10-18(23)9-16/h8-11H,4-7,12H2,1-3H3
InChIKeyXUFXXXIUQVVCDJ-UHFFFAOYSA-N
XLogP3.66
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-4-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole?
The IUPAC name of 2-(3,5-difluorophenyl)-4-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole (CID 25385681) is 2-(3,5-difluorophenyl)-4-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-(3,5-difluorophenyl)-4-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole?
The canonical SMILES for 2-(3,5-difluorophenyl)-4-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole is Cc1cnc(C)c(N2CCN(Cc3nc(-c4cc(F)cc(F)c4)oc3C)CC2)n1.
What is the InChIKey of 2-(3,5-difluorophenyl)-4-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole?
The InChIKey is XUFXXXIUQVVCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N5O/c1-13-11-24-14(2)20(25-13)28-6-4-27(5-7-28)12-19-15(3)29-21(26-19)16-8-17(22)10-18(23)9-16/h8-11H,4-7,12H2,1-3H3.
What are the key properties of 2-(3,5-difluorophenyl)-4-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole?
2-(3,5-difluorophenyl)-4-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole has a molecular weight of 399.45 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-4-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 25385681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).