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

C16H23N5O2 — CID 154750628

IUPAC2-[[4-(6-ethoxypyrazin-2-yl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
SMILESCCOc1cncc(N2CCN(Cc3nc(C)c(C)o3)CC2)n1
InChIInChI=1S/C16H23N5O2/c1-4-22-15-10-17-9-14(19-15)21-7-5-20(6-8-21)11-16-18-12(2)13(3)23-16/h9-10H,4-8,11H2,1-3H3
InChIKeyZZRDSZXQVDRDGE-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.80
Rot. Bonds5

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

2-[[4-(6-ethoxypyrazin-2-yl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole (PubChem CID 154750628) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-[[4-(6-ethoxypyrazin-2-yl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name2-[[4-(6-ethoxypyrazin-2-yl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
PubChem CID154750628
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name2-[[4-(6-ethoxypyrazin-2-yl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
SMILESCCOc1cncc(N2CCN(Cc3nc(C)c(C)o3)CC2)n1
InChIInChI=1S/C16H23N5O2/c1-4-22-15-10-17-9-14(19-15)21-7-5-20(6-8-21)11-16-18-12(2)13(3)23-16/h9-10H,4-8,11H2,1-3H3
InChIKeyZZRDSZXQVDRDGE-UHFFFAOYSA-N
XLogP1.80
TPSA67.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(6-ethoxypyrazin-2-yl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole?
The IUPAC name of 2-[[4-(6-ethoxypyrazin-2-yl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole (CID 154750628) is 2-[[4-(6-ethoxypyrazin-2-yl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 2-[[4-(6-ethoxypyrazin-2-yl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole?
The canonical SMILES for 2-[[4-(6-ethoxypyrazin-2-yl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole is CCOc1cncc(N2CCN(Cc3nc(C)c(C)o3)CC2)n1.
What is the InChIKey of 2-[[4-(6-ethoxypyrazin-2-yl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole?
The InChIKey is ZZRDSZXQVDRDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-4-22-15-10-17-9-14(19-15)21-7-5-20(6-8-21)11-16-18-12(2)13(3)23-16/h9-10H,4-8,11H2,1-3H3.
What are the key properties of 2-[[4-(6-ethoxypyrazin-2-yl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole?
2-[[4-(6-ethoxypyrazin-2-yl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole has a molecular weight of 317.39 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(6-ethoxypyrazin-2-yl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 154750628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).