2-[1-(5-butan-2-yl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,3-oxazole

C17H31N3O — CID 106389954

IUPAC2-[1-(5-butan-2-yl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,3-oxazole
SMILESCCC(C)C1CN(C(C)c2ncc(C)o2)C(C(C)C)CN1
InChIInChI=1S/C17H31N3O/c1-7-12(4)15-10-20(16(9-18-15)11(2)3)14(6)17-19-8-13(5)21-17/h8,11-12,14-16,18H,7,9-10H2,1-6H3
InChIKeyFJUVGWCNURMCDV-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.39
Rot. Bonds5

About 2-[1-(5-butan-2-yl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,3-oxazole

2-[1-(5-butan-2-yl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,3-oxazole (PubChem CID 106389954) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-[1-(5-butan-2-yl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-[1-(5-butan-2-yl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,3-oxazole
PubChem CID106389954
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name2-[1-(5-butan-2-yl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,3-oxazole
SMILESCCC(C)C1CN(C(C)c2ncc(C)o2)C(C(C)C)CN1
InChIInChI=1S/C17H31N3O/c1-7-12(4)15-10-20(16(9-18-15)11(2)3)14(6)17-19-8-13(5)21-17/h8,11-12,14-16,18H,7,9-10H2,1-6H3
InChIKeyFJUVGWCNURMCDV-UHFFFAOYSA-N
XLogP3.39
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-butan-2-yl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,3-oxazole?
The IUPAC name of 2-[1-(5-butan-2-yl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,3-oxazole (CID 106389954) is 2-[1-(5-butan-2-yl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-[1-(5-butan-2-yl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,3-oxazole?
The canonical SMILES for 2-[1-(5-butan-2-yl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,3-oxazole is CCC(C)C1CN(C(C)c2ncc(C)o2)C(C(C)C)CN1.
What is the InChIKey of 2-[1-(5-butan-2-yl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,3-oxazole?
The InChIKey is FJUVGWCNURMCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-7-12(4)15-10-20(16(9-18-15)11(2)3)14(6)17-19-8-13(5)21-17/h8,11-12,14-16,18H,7,9-10H2,1-6H3.
What are the key properties of 2-[1-(5-butan-2-yl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,3-oxazole?
2-[1-(5-butan-2-yl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,3-oxazole has a molecular weight of 293.45 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-butan-2-yl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 106389954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).