2-[(5-tert-butylpiperazin-2-yl)oxymethyl]-4,5-dihydro-1,3-oxazole

C12H23N3O2 — CID 155004018

IUPAC2-[(5-tert-butylpiperazin-2-yl)oxymethyl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)C1CNC(OCC2=NCCO2)CN1
InChIInChI=1S/C12H23N3O2/c1-12(2,3)9-6-15-10(7-14-9)17-8-11-13-4-5-16-11/h9-10,14-15H,4-8H2,1-3H3
InChIKeyHIKPSLIVACMUMI-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.37
Rot. Bonds3

About 2-[(5-tert-butylpiperazin-2-yl)oxymethyl]-4,5-dihydro-1,3-oxazole

2-[(5-tert-butylpiperazin-2-yl)oxymethyl]-4,5-dihydro-1,3-oxazole (PubChem CID 155004018) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[(5-tert-butylpiperazin-2-yl)oxymethyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[(5-tert-butylpiperazin-2-yl)oxymethyl]-4,5-dihydro-1,3-oxazole
PubChem CID155004018
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2-[(5-tert-butylpiperazin-2-yl)oxymethyl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)C1CNC(OCC2=NCCO2)CN1
InChIInChI=1S/C12H23N3O2/c1-12(2,3)9-6-15-10(7-14-9)17-8-11-13-4-5-16-11/h9-10,14-15H,4-8H2,1-3H3
InChIKeyHIKPSLIVACMUMI-UHFFFAOYSA-N
XLogP0.37
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-5-(cyclobutylmethoxy)piperazine
CID 154601187
2-tert-butyl-5-(2-methoxyethoxy)piperazine
CID 154601269
2-tert-butyl-5-(2,2,3,3-tetrafluoropropoxy)piperazine
CID 154601254
2-[(5-tert-butylpiperazin-2-yl)oxymethyl]-5-methyl-1,3,4-oxadiazolidine
CID 154601270
2-(fluoromethyl)-4,5-dihydro-1,3-oxazole
CID 172771134
2-tert-butyl-5-[(2S)-pent-3-yn-2-yl]oxypiperazine
CID 154601178
2-[2-(1,3-oxazolidin-2-yl)ethyl]-4,5-dihydro-1,3-oxazole
CID 91545902
2-tert-butyl-5-chloropiperazine
CID 154601268
2-(dimethoxyphosphorylmethyl)-4,5-dihydro-1,3-oxazole
CID 4197963
5-tert-butyl-2-(cyclopentylmethyl)-1,4-oxazepane
CID 114177441
5-(4,5-dihydro-1,3-oxazol-2-yl)pentyl 2-bromo-2-methylpropanoate
CID 158341290
3-(4,5-dihydro-1,3-oxazol-2-yl)propyl-triethoxysilane
CID 22104347

Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butylpiperazin-2-yl)oxymethyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[(5-tert-butylpiperazin-2-yl)oxymethyl]-4,5-dihydro-1,3-oxazole (CID 155004018) is 2-[(5-tert-butylpiperazin-2-yl)oxymethyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[(5-tert-butylpiperazin-2-yl)oxymethyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[(5-tert-butylpiperazin-2-yl)oxymethyl]-4,5-dihydro-1,3-oxazole is CC(C)(C)C1CNC(OCC2=NCCO2)CN1.
What is the InChIKey of 2-[(5-tert-butylpiperazin-2-yl)oxymethyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is HIKPSLIVACMUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-12(2,3)9-6-15-10(7-14-9)17-8-11-13-4-5-16-11/h9-10,14-15H,4-8H2,1-3H3.
What are the key properties of 2-[(5-tert-butylpiperazin-2-yl)oxymethyl]-4,5-dihydro-1,3-oxazole?
2-[(5-tert-butylpiperazin-2-yl)oxymethyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 241.33 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butylpiperazin-2-yl)oxymethyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 155004018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).