2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole

C17H18N4O2 — CID 59671497

IUPAC2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole
SMILESc1cncc(OCC2CNCCN2c2nc3ccccc3o2)c1
InChIInChI=1S/C17H18N4O2/c1-2-6-16-15(5-1)20-17(23-16)21-9-8-19-10-13(21)12-22-14-4-3-7-18-11-14/h1-7,11,13,19H,8-10,12H2
InChIKeyOIZPYIZBDYGMNM-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.08
Rot. Bonds4

About 2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole

2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole (PubChem CID 59671497) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole
PubChem CID59671497
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole
SMILESc1cncc(OCC2CNCCN2c2nc3ccccc3o2)c1
InChIInChI=1S/C17H18N4O2/c1-2-6-16-15(5-1)20-17(23-16)21-9-8-19-10-13(21)12-22-14-4-3-7-18-11-14/h1-7,11,13,19H,8-10,12H2
InChIKeyOIZPYIZBDYGMNM-UHFFFAOYSA-N
XLogP2.08
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole?
The IUPAC name of 2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole (CID 59671497) is 2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole is c1cncc(OCC2CNCCN2c2nc3ccccc3o2)c1.
What is the InChIKey of 2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole?
The InChIKey is OIZPYIZBDYGMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-2-6-16-15(5-1)20-17(23-16)21-9-8-19-10-13(21)12-22-14-4-3-7-18-11-14/h1-7,11,13,19H,8-10,12H2.
What are the key properties of 2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole?
2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole has a molecular weight of 310.36 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole is sourced from PubChem (CID 59671497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).