5-piperazin-1-yl-1,2-benzoxazole

C11H13N3O — CID 82608582

IUPAC5-piperazin-1-yl-1,2-benzoxazole
SMILESc1cc2oncc2cc1N1CCNCC1
InChIInChI=1S/C11H13N3O/c1-2-11-9(8-13-15-11)7-10(1)14-5-3-12-4-6-14/h1-2,7-8,12H,3-6H2
InChIKeyTUJPMUITQGQQFR-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.24
Rot. Bonds1

About 5-piperazin-1-yl-1,2-benzoxazole

5-piperazin-1-yl-1,2-benzoxazole (PubChem CID 82608582) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 5-piperazin-1-yl-1,2-benzoxazole.

Molecular Properties

Compound Name5-piperazin-1-yl-1,2-benzoxazole
PubChem CID82608582
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name5-piperazin-1-yl-1,2-benzoxazole
SMILESc1cc2oncc2cc1N1CCNCC1
InChIInChI=1S/C11H13N3O/c1-2-11-9(8-13-15-11)7-10(1)14-5-3-12-4-6-14/h1-2,7-8,12H,3-6H2
InChIKeyTUJPMUITQGQQFR-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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Related Compounds

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CID 14987908
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CID 19072450
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Frequently Asked Questions

What is the IUPAC name of 5-piperazin-1-yl-1,2-benzoxazole?
The IUPAC name of 5-piperazin-1-yl-1,2-benzoxazole (CID 82608582) is 5-piperazin-1-yl-1,2-benzoxazole.
What is the SMILES notation for 5-piperazin-1-yl-1,2-benzoxazole?
The canonical SMILES for 5-piperazin-1-yl-1,2-benzoxazole is c1cc2oncc2cc1N1CCNCC1.
What is the InChIKey of 5-piperazin-1-yl-1,2-benzoxazole?
The InChIKey is TUJPMUITQGQQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-2-11-9(8-13-15-11)7-10(1)14-5-3-12-4-6-14/h1-2,7-8,12H,3-6H2.
What are the key properties of 5-piperazin-1-yl-1,2-benzoxazole?
5-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 5-piperazin-1-yl-1,2-benzoxazole is sourced from PubChem (CID 82608582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).