2-piperazin-1-yl-1,3-benzoxazole

C11H13N3O — CID 647818

IUPAC2-piperazin-1-yl-1,3-benzoxazole
SMILESc1ccc2oc(N3CCNCC3)nc2c1
InChIInChI=1S/C11H13N3O/c1-2-4-10-9(3-1)13-11(15-10)14-7-5-12-6-8-14/h1-4,12H,5-8H2
InChIKeyHLKHIJZYKGDCJM-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.24
Rot. Bonds1

About 2-piperazin-1-yl-1,3-benzoxazole

2-piperazin-1-yl-1,3-benzoxazole (PubChem CID 647818) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 2-piperazin-1-yl-1,3-benzoxazole.

Molecular Properties

Compound Name2-piperazin-1-yl-1,3-benzoxazole
PubChem CID647818
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name2-piperazin-1-yl-1,3-benzoxazole
SMILESc1ccc2oc(N3CCNCC3)nc2c1
InChIInChI=1S/C11H13N3O/c1-2-4-10-9(3-1)13-11(15-10)14-7-5-12-6-8-14/h1-4,12H,5-8H2
InChIKeyHLKHIJZYKGDCJM-UHFFFAOYSA-N
XLogP1.24
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-1,3-benzoxazole?
The IUPAC name of 2-piperazin-1-yl-1,3-benzoxazole (CID 647818) is 2-piperazin-1-yl-1,3-benzoxazole.
What is the SMILES notation for 2-piperazin-1-yl-1,3-benzoxazole?
The canonical SMILES for 2-piperazin-1-yl-1,3-benzoxazole is c1ccc2oc(N3CCNCC3)nc2c1.
What is the InChIKey of 2-piperazin-1-yl-1,3-benzoxazole?
The InChIKey is HLKHIJZYKGDCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-2-4-10-9(3-1)13-11(15-10)14-7-5-12-6-8-14/h1-4,12H,5-8H2.
What are the key properties of 2-piperazin-1-yl-1,3-benzoxazole?
2-piperazin-1-yl-1,3-benzoxazole has a molecular weight of 203.25 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-1,3-benzoxazole is sourced from PubChem (CID 647818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).