4-[[3-methyl-4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole

C18H19N7OS — CID 71911861

IUPAC4-[[3-methyl-4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
SMILESCC1CN(Cc2coc(-c3cccs3)n2)CCN1c1nccn2cnnc12
InChIInChI=1S/C18H19N7OS/c1-13-9-23(10-14-11-26-18(21-14)15-3-2-8-27-15)6-7-25(13)16-17-22-20-12-24(17)5-4-19-16/h2-5,8,11-13H,6-7,9-10H2,1H3
InChIKeyUZFYWPXITIMVLP-UHFFFAOYSA-N
MW381.47 g/mol
LogP2.55
Rot. Bonds4

About 4-[[3-methyl-4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole

4-[[3-methyl-4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole (PubChem CID 71911861) has the molecular formula C18H19N7OS and a molecular weight of 381.47 g/mol. Its IUPAC name is 4-[[3-methyl-4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-[[3-methyl-4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
PubChem CID71911861
Molecular FormulaC18H19N7OS
Molecular Weight381.47 g/mol
Exact Mass381.14
IUPAC Name4-[[3-methyl-4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
SMILESCC1CN(Cc2coc(-c3cccs3)n2)CCN1c1nccn2cnnc12
InChIInChI=1S/C18H19N7OS/c1-13-9-23(10-14-11-26-18(21-14)15-3-2-8-27-15)6-7-25(13)16-17-22-20-12-24(17)5-4-19-16/h2-5,8,11-13H,6-7,9-10H2,1H3
InChIKeyUZFYWPXITIMVLP-UHFFFAOYSA-N
XLogP2.55
TPSA75.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-methyl-4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole?
The IUPAC name of 4-[[3-methyl-4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole (CID 71911861) is 4-[[3-methyl-4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole.
What is the SMILES notation for 4-[[3-methyl-4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole?
The canonical SMILES for 4-[[3-methyl-4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole is CC1CN(Cc2coc(-c3cccs3)n2)CCN1c1nccn2cnnc12.
What is the InChIKey of 4-[[3-methyl-4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole?
The InChIKey is UZFYWPXITIMVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7OS/c1-13-9-23(10-14-11-26-18(21-14)15-3-2-8-27-15)6-7-25(13)16-17-22-20-12-24(17)5-4-19-16/h2-5,8,11-13H,6-7,9-10H2,1H3.
What are the key properties of 4-[[3-methyl-4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole?
4-[[3-methyl-4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole has a molecular weight of 381.47 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-methyl-4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole is sourced from PubChem (CID 71911861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).