5-chloro-3-(2-piperazin-1-ylethyl)-1,2-benzoxazole

C13H16ClN3O — CID 39097774

IUPAC5-chloro-3-(2-piperazin-1-ylethyl)-1,2-benzoxazole
SMILESClc1ccc2onc(CCN3CCNCC3)c2c1
InChIInChI=1S/C13H16ClN3O/c14-10-1-2-13-11(9-10)12(16-18-13)3-6-17-7-4-15-5-8-17/h1-2,9,15H,3-8H2
InChIKeyOWZRLZUMUQTLFC-UHFFFAOYSA-N
MW265.74 g/mol
LogP1.93
Rot. Bonds3

About 5-chloro-3-(2-piperazin-1-ylethyl)-1,2-benzoxazole

5-chloro-3-(2-piperazin-1-ylethyl)-1,2-benzoxazole (PubChem CID 39097774) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 5-chloro-3-(2-piperazin-1-ylethyl)-1,2-benzoxazole.

Molecular Properties

Compound Name5-chloro-3-(2-piperazin-1-ylethyl)-1,2-benzoxazole
PubChem CID39097774
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name5-chloro-3-(2-piperazin-1-ylethyl)-1,2-benzoxazole
SMILESClc1ccc2onc(CCN3CCNCC3)c2c1
InChIInChI=1S/C13H16ClN3O/c14-10-1-2-13-11(9-10)12(16-18-13)3-6-17-7-4-15-5-8-17/h1-2,9,15H,3-8H2
InChIKeyOWZRLZUMUQTLFC-UHFFFAOYSA-N
XLogP1.93
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-3-propyl-1,2-benzoxazole
CID 177441430
1-(2-piperazin-1-ylethyl)benzo[e][1,2]benzoxazole
CID 39097852
5-chloro-4,6-dimethyl-3-(2-piperazin-1-ylethyl)-1,2-benzoxazole
CID 39097785
CID 88576146
CID 88576146
5-chloro-3-(2-piperazin-1-ylethyl)-1H-indole
CID 82277469
3-[2-(4-benzylpiperazin-1-yl)ethyl]-1,2-benzoxazole
CID 18377472
5-chloro-3-piperidin-4-yl-1,2-benzoxazole
CID 21471782
3-(4-chlorophenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole
CID 94700421
5-chloro-3-[[1-(2-phenylethyl)piperidin-4-yl]methoxy]-1,2-benzoxazole
CID 67845365
1-[2-(5-chloro-2-propan-2-ylsulfanylphenyl)ethyl]piperazine
CID 82264855
5-(5-chloro-2-fluorophenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 63342697
1-[2-(5-chloro-3-pyridinyl)ethyl]piperazine
CID 84690273

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2-piperazin-1-ylethyl)-1,2-benzoxazole?
The IUPAC name of 5-chloro-3-(2-piperazin-1-ylethyl)-1,2-benzoxazole (CID 39097774) is 5-chloro-3-(2-piperazin-1-ylethyl)-1,2-benzoxazole.
What is the SMILES notation for 5-chloro-3-(2-piperazin-1-ylethyl)-1,2-benzoxazole?
The canonical SMILES for 5-chloro-3-(2-piperazin-1-ylethyl)-1,2-benzoxazole is Clc1ccc2onc(CCN3CCNCC3)c2c1.
What is the InChIKey of 5-chloro-3-(2-piperazin-1-ylethyl)-1,2-benzoxazole?
The InChIKey is OWZRLZUMUQTLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c14-10-1-2-13-11(9-10)12(16-18-13)3-6-17-7-4-15-5-8-17/h1-2,9,15H,3-8H2.
What are the key properties of 5-chloro-3-(2-piperazin-1-ylethyl)-1,2-benzoxazole?
5-chloro-3-(2-piperazin-1-ylethyl)-1,2-benzoxazole has a molecular weight of 265.74 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2-piperazin-1-ylethyl)-1,2-benzoxazole is sourced from PubChem (CID 39097774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).