3-tert-butyl-5-piperazin-1-yl-1,2-oxazole

C11H19N3O — CID 116825944

IUPAC3-tert-butyl-5-piperazin-1-yl-1,2-oxazole
SMILESCC(C)(C)c1cc(N2CCNCC2)on1
InChIInChI=1S/C11H19N3O/c1-11(2,3)9-8-10(15-13-9)14-6-4-12-5-7-14/h8,12H,4-7H2,1-3H3
InChIKeyBHTDRXVJWDLAGR-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.38
Rot. Bonds1

About 3-tert-butyl-5-piperazin-1-yl-1,2-oxazole

3-tert-butyl-5-piperazin-1-yl-1,2-oxazole (PubChem CID 116825944) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-tert-butyl-5-piperazin-1-yl-1,2-oxazole.

Molecular Properties

Compound Name3-tert-butyl-5-piperazin-1-yl-1,2-oxazole
PubChem CID116825944
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-tert-butyl-5-piperazin-1-yl-1,2-oxazole
SMILESCC(C)(C)c1cc(N2CCNCC2)on1
InChIInChI=1S/C11H19N3O/c1-11(2,3)9-8-10(15-13-9)14-6-4-12-5-7-14/h8,12H,4-7H2,1-3H3
InChIKeyBHTDRXVJWDLAGR-UHFFFAOYSA-N
XLogP1.38
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-5-piperazin-1-yl-1,2-oxazole
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3-piperazin-1-yl-5-propan-2-yl-1,2-oxazole
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6-methyl-3-piperazin-1-yl-2,1-benzoxazole
CID 84682811
N-(azetidin-3-yl)-6-tert-butyl-2-piperazin-1-ylpyrimidin-4-amine
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N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
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3-tert-butyl-5-(2-methylbutan-2-yl)-1,2-oxazole
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3-piperazin-1-yl-5-propyl-1,2-oxazole
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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-piperazin-1-yl-1,2-oxazole?
The IUPAC name of 3-tert-butyl-5-piperazin-1-yl-1,2-oxazole (CID 116825944) is 3-tert-butyl-5-piperazin-1-yl-1,2-oxazole.
What is the SMILES notation for 3-tert-butyl-5-piperazin-1-yl-1,2-oxazole?
The canonical SMILES for 3-tert-butyl-5-piperazin-1-yl-1,2-oxazole is CC(C)(C)c1cc(N2CCNCC2)on1.
What is the InChIKey of 3-tert-butyl-5-piperazin-1-yl-1,2-oxazole?
The InChIKey is BHTDRXVJWDLAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-11(2,3)9-8-10(15-13-9)14-6-4-12-5-7-14/h8,12H,4-7H2,1-3H3.
What are the key properties of 3-tert-butyl-5-piperazin-1-yl-1,2-oxazole?
3-tert-butyl-5-piperazin-1-yl-1,2-oxazole has a molecular weight of 209.29 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-piperazin-1-yl-1,2-oxazole is sourced from PubChem (CID 116825944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).