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

C20H25N5OS — CID 25453348

IUPAC4-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazole
SMILESCc1cnc(C)c(N2CCN(Cc3nc(-c4sccc4C)oc3C)CC2)n1
InChIInChI=1S/C20H25N5OS/c1-13-5-10-27-18(13)20-23-17(16(4)26-20)12-24-6-8-25(9-7-24)19-15(3)21-11-14(2)22-19/h5,10-11H,6-9,12H2,1-4H3
InChIKeyYHLZOGCWAOILIN-UHFFFAOYSA-N
MW383.52 g/mol
LogP3.75
Rot. Bonds4

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

4-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazole (PubChem CID 25453348) has the molecular formula C20H25N5OS and a molecular weight of 383.52 g/mol. Its IUPAC name is 4-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazole.

Molecular Properties

Compound Name4-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazole
PubChem CID25453348
Molecular FormulaC20H25N5OS
Molecular Weight383.52 g/mol
Exact Mass383.18
IUPAC Name4-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazole
SMILESCc1cnc(C)c(N2CCN(Cc3nc(-c4sccc4C)oc3C)CC2)n1
InChIInChI=1S/C20H25N5OS/c1-13-5-10-27-18(13)20-23-17(16(4)26-20)12-24-6-8-25(9-7-24)19-15(3)21-11-14(2)22-19/h5,10-11H,6-9,12H2,1-4H3
InChIKeyYHLZOGCWAOILIN-UHFFFAOYSA-N
XLogP3.75
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazole?
The IUPAC name of 4-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazole (CID 25453348) is 4-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazole.
What is the SMILES notation for 4-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazole?
The canonical SMILES for 4-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazole is Cc1cnc(C)c(N2CCN(Cc3nc(-c4sccc4C)oc3C)CC2)n1.
What is the InChIKey of 4-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazole?
The InChIKey is YHLZOGCWAOILIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5OS/c1-13-5-10-27-18(13)20-23-17(16(4)26-20)12-24-6-8-25(9-7-24)19-15(3)21-11-14(2)22-19/h5,10-11H,6-9,12H2,1-4H3.
What are the key properties of 4-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazole?
4-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazole has a molecular weight of 383.52 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazole is sourced from PubChem (CID 25453348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).