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

C11H14ClN3O — CID 13232476

IUPAC3-piperazin-1-yl-1,2-benzoxazole;hydrochloride
SMILESCl.c1ccc2c(N3CCNCC3)noc2c1
InChIInChI=1S/C11H13N3O.ClH/c1-2-4-10-9(3-1)11(13-15-10)14-7-5-12-6-8-14;/h1-4,12H,5-8H2;1H
InChIKeyQSXYQRWLEGCKEW-UHFFFAOYSA-N
MW239.71 g/mol
LogP1.66
Rot. Bonds1

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

3-piperazin-1-yl-1,2-benzoxazole;hydrochloride (PubChem CID 13232476) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 3-piperazin-1-yl-1,2-benzoxazole;hydrochloride.

Molecular Properties

Compound Name3-piperazin-1-yl-1,2-benzoxazole;hydrochloride
PubChem CID13232476
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name3-piperazin-1-yl-1,2-benzoxazole;hydrochloride
SMILESCl.c1ccc2c(N3CCNCC3)noc2c1
InChIInChI=1S/C11H13N3O.ClH/c1-2-4-10-9(3-1)11(13-15-10)14-7-5-12-6-8-14;/h1-4,12H,5-8H2;1H
InChIKeyQSXYQRWLEGCKEW-UHFFFAOYSA-N
XLogP1.66
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-Benzo[d]isoxazol-3-yl-piperazin-1-yl)-1-(2-methoxy-phenyl)-hexan-1-one
CID 10069973
3-[4-[4-(1,2-Benzoxazol-3-yl)piperazin-1-yl]butyl]-1,3-thiazolidine-2,4-dione
CID 13232481
N-((1-benzylpiperidin-4-yl)methyl)benzo[d]isoxazol-3-amine
CID 9996198
N-(2-(1-benzylpiperidin-4-yl)ethyl)benzo[d]isoxazol-3-amine
CID 10449628
N-(biphenyl-4-yl)benzo[d]isoxazol-3-amine
CID 45484855
N-(biphenyl-3-yl)benzo[d]isoxazol-3-amine
CID 45484883
N-(2-(4-(benzo[d]isoxazol-3-yl)piperazin-1-yl)ethyl)-4-fluorobenzamide
CID 49788939
N-(1,2-benzoxazol-3-yl)-2,6-difluorobenzamide
CID 8087352
6-(4-Benzo[d]isoxazol-3-yl-piperazin-1-yl)-1-(2-hydroxy-phenyl)-hexan-1-one
CID 10430685
8-[4-(4-Benzo[d]isoxazol-3-yl-piperazin-1-yl)-butyl]-8-aza-spiro[4.5]decane-7,9-dione
CID 13232478
4-(4-Benzo[d]isoxazol-3-yl-piperazin-1-yl)-1-(4-fluoro-phenyl)-butan-1-one
CID 13232488
alpha-[3-[4-(1,2-Benzisoxazol-3-yl)-1-piperazinyl]propyl]-4-fluorobenzenemethanol
CID 13232490

Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-yl-1,2-benzoxazole;hydrochloride?
The IUPAC name of 3-piperazin-1-yl-1,2-benzoxazole;hydrochloride (CID 13232476) is 3-piperazin-1-yl-1,2-benzoxazole;hydrochloride.
What is the SMILES notation for 3-piperazin-1-yl-1,2-benzoxazole;hydrochloride?
The canonical SMILES for 3-piperazin-1-yl-1,2-benzoxazole;hydrochloride is Cl.c1ccc2c(N3CCNCC3)noc2c1.
What is the InChIKey of 3-piperazin-1-yl-1,2-benzoxazole;hydrochloride?
The InChIKey is QSXYQRWLEGCKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O.ClH/c1-2-4-10-9(3-1)11(13-15-10)14-7-5-12-6-8-14;/h1-4,12H,5-8H2;1H.
What are the key properties of 3-piperazin-1-yl-1,2-benzoxazole;hydrochloride?
3-piperazin-1-yl-1,2-benzoxazole;hydrochloride has a molecular weight of 239.71 g/mol, XLogP of 1.66, 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;hydrochloride is sourced from PubChem (CID 13232476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).