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

C12H15N3O2 — CID 84696731

IUPAC5-methoxy-3-piperazin-1-yl-2,1-benzoxazole
SMILESCOc1ccc2noc(N3CCNCC3)c2c1
InChIInChI=1S/C12H15N3O2/c1-16-9-2-3-11-10(8-9)12(17-14-11)15-6-4-13-5-7-15/h2-3,8,13H,4-7H2,1H3
InChIKeyGSDGISMWRUVQHA-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.25
Rot. Bonds2

About 5-methoxy-3-piperazin-1-yl-2,1-benzoxazole

5-methoxy-3-piperazin-1-yl-2,1-benzoxazole (PubChem CID 84696731) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-methoxy-3-piperazin-1-yl-2,1-benzoxazole.

Molecular Properties

Compound Name5-methoxy-3-piperazin-1-yl-2,1-benzoxazole
PubChem CID84696731
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name5-methoxy-3-piperazin-1-yl-2,1-benzoxazole
SMILESCOc1ccc2noc(N3CCNCC3)c2c1
InChIInChI=1S/C12H15N3O2/c1-16-9-2-3-11-10(8-9)12(17-14-11)15-6-4-13-5-7-15/h2-3,8,13H,4-7H2,1H3
InChIKeyGSDGISMWRUVQHA-UHFFFAOYSA-N
XLogP1.25
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-3-piperazin-1-yl-2,1-benzoxazole
CID 84682811
3-bromo-6-methoxy-4-piperazin-1-ylquinoline
CID 121236333
3-chloro-6-methoxy-2-methyl-4-piperazin-1-ylquinoline
CID 121236492
6-methoxy-4-piperazin-1-yl-2-propylquinoline
CID 121237076
7-methoxy-1-piperazin-1-ylisoquinoline
CID 23155836
7-methoxy-4-methyl-2-piperazin-1-ylquinoline;hydrochloride
CID 121237212
1-(3,5-dimethoxyphenyl)piperazine
CID 2736205
1-(2-chloro-5-methoxyphenyl)piperazine
CID 18663028
7-methoxy-3-methyl-2-piperazin-1-ylquinoline;hydrochloride
CID 121237209
tert-butyl 6-methoxy-2-piperazin-1-ylquinazoline-4-carboxylate
CID 69465845
bis(1-(3-methoxyphenyl)piperazine);dihydrochloride
CID 70182951
6-methoxy-2-methyl-4-(2-piperazin-1-yl-4-pyridinyl)quinoline;tetrahydrochloride
CID 171686344

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-piperazin-1-yl-2,1-benzoxazole?
The IUPAC name of 5-methoxy-3-piperazin-1-yl-2,1-benzoxazole (CID 84696731) is 5-methoxy-3-piperazin-1-yl-2,1-benzoxazole.
What is the SMILES notation for 5-methoxy-3-piperazin-1-yl-2,1-benzoxazole?
The canonical SMILES for 5-methoxy-3-piperazin-1-yl-2,1-benzoxazole is COc1ccc2noc(N3CCNCC3)c2c1.
What is the InChIKey of 5-methoxy-3-piperazin-1-yl-2,1-benzoxazole?
The InChIKey is GSDGISMWRUVQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-16-9-2-3-11-10(8-9)12(17-14-11)15-6-4-13-5-7-15/h2-3,8,13H,4-7H2,1H3.
What are the key properties of 5-methoxy-3-piperazin-1-yl-2,1-benzoxazole?
5-methoxy-3-piperazin-1-yl-2,1-benzoxazole has a molecular weight of 233.27 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-piperazin-1-yl-2,1-benzoxazole is sourced from PubChem (CID 84696731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).