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

5-Nitrobenzisoxazole
CID 142385
3-Piperazin-1-yl-benzo[d]isoxazole hydrochloride
CID 13232476
2,4-Difluoro-N-[3-(1-methyl-piperidin-4-yl)-benzo[d]isoxazol-5-yl]-benzamide
CID 44395894
3-(Piperazin-1-yl)-1,2-benzoxazole
CID 13232475
4-Fluoro-N-[3-(1-methyl-piperidin-4-yl)-benzo[d]isoxazol-5-yl]-benzamide
CID 44395786
US10464919, Example 153
CID 154584648
1,2-Benzoxazol-5-amine
CID 18373421
N-(1,2-benzoxazol-3-ylmethyl)-4-phenylpiperazine-1-carboxamide
CID 16019321
3-{4-[(1,2-Benzoxazol-3-YL)methyl]piperazine-1-carbonyl}-N,N-dimethylaniline
CID 20972211
Benzoisoxazoloazepine
CID 136980671
6-Fluoro-3-(3-piperazin-1-ylpropyl)-1,2-benzoxazole
CID 14987908
3-[2-(6-Fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-1-amine
CID 19072450

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).