2-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperazin-1-yl]-1,3-benzoxazole

C20H20N6O — CID 163357159

IUPAC2-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperazin-1-yl]-1,3-benzoxazole
SMILESCc1nccn1-c1cccc(N2CCN(c3nc4ccccc4o3)CC2)n1
InChIInChI=1S/C20H20N6O/c1-15-21-9-10-26(15)19-8-4-7-18(23-19)24-11-13-25(14-12-24)20-22-16-5-2-3-6-17(16)27-20/h2-10H,11-14H2,1H3
InChIKeyOCQPGGBSCABKPX-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.04
Rot. Bonds3

About 2-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperazin-1-yl]-1,3-benzoxazole

2-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperazin-1-yl]-1,3-benzoxazole (PubChem CID 163357159) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperazin-1-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperazin-1-yl]-1,3-benzoxazole
PubChem CID163357159
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name2-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperazin-1-yl]-1,3-benzoxazole
SMILESCc1nccn1-c1cccc(N2CCN(c3nc4ccccc4o3)CC2)n1
InChIInChI=1S/C20H20N6O/c1-15-21-9-10-26(15)19-8-4-7-18(23-19)24-11-13-25(14-12-24)20-22-16-5-2-3-6-17(16)27-20/h2-10H,11-14H2,1H3
InChIKeyOCQPGGBSCABKPX-UHFFFAOYSA-N
XLogP3.04
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperazin-1-yl]-1,3-benzoxazole?
The IUPAC name of 2-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperazin-1-yl]-1,3-benzoxazole (CID 163357159) is 2-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperazin-1-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperazin-1-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperazin-1-yl]-1,3-benzoxazole is Cc1nccn1-c1cccc(N2CCN(c3nc4ccccc4o3)CC2)n1.
What is the InChIKey of 2-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperazin-1-yl]-1,3-benzoxazole?
The InChIKey is OCQPGGBSCABKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-15-21-9-10-26(15)19-8-4-7-18(23-19)24-11-13-25(14-12-24)20-22-16-5-2-3-6-17(16)27-20/h2-10H,11-14H2,1H3.
What are the key properties of 2-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperazin-1-yl]-1,3-benzoxazole?
2-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperazin-1-yl]-1,3-benzoxazole has a molecular weight of 360.42 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperazin-1-yl]-1,3-benzoxazole is sourced from PubChem (CID 163357159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).