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

C11H13N3O — CID 13232475

IUPAC3-piperazin-1-yl-1,2-benzoxazole
SMILESc1ccc2c(N3CCNCC3)noc2c1
InChIInChI=1S/C11H13N3O/c1-2-4-10-9(3-1)11(13-15-10)14-7-5-12-6-8-14/h1-4,12H,5-8H2
InChIKeyZDFQBFVFCPABKQ-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.24
Rot. Bonds1

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

3-piperazin-1-yl-1,2-benzoxazole (PubChem CID 13232475) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 3-piperazin-1-yl-1,2-benzoxazole.

Molecular Properties

Compound Name3-piperazin-1-yl-1,2-benzoxazole
PubChem CID13232475
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name3-piperazin-1-yl-1,2-benzoxazole
SMILESc1ccc2c(N3CCNCC3)noc2c1
InChIInChI=1S/C11H13N3O/c1-2-4-10-9(3-1)11(13-15-10)14-7-5-12-6-8-14/h1-4,12H,5-8H2
InChIKeyZDFQBFVFCPABKQ-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 3-piperazin-1-yl-1,2-benzoxazole?
The IUPAC name of 3-piperazin-1-yl-1,2-benzoxazole (CID 13232475) is 3-piperazin-1-yl-1,2-benzoxazole.
What is the SMILES notation for 3-piperazin-1-yl-1,2-benzoxazole?
The canonical SMILES for 3-piperazin-1-yl-1,2-benzoxazole is c1ccc2c(N3CCNCC3)noc2c1.
What is the InChIKey of 3-piperazin-1-yl-1,2-benzoxazole?
The InChIKey is ZDFQBFVFCPABKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-2-4-10-9(3-1)11(13-15-10)14-7-5-12-6-8-14/h1-4,12H,5-8H2.
What are the key properties of 3-piperazin-1-yl-1,2-benzoxazole?
3-piperazin-1-yl-1,2-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 3-piperazin-1-yl-1,2-benzoxazole is sourced from PubChem (CID 13232475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).