1-(4-isoquinolin-4-ylpiperazin-1-yl)-2-(3-methyl-1,2-oxazol-5-yl)ethanone

C19H20N4O2 — CID 155545133

IUPAC1-(4-isoquinolin-4-ylpiperazin-1-yl)-2-(3-methyl-1,2-oxazol-5-yl)ethanone
SMILESCc1cc(CC(=O)N2CCN(c3cncc4ccccc34)CC2)on1
InChIInChI=1S/C19H20N4O2/c1-14-10-16(25-21-14)11-19(24)23-8-6-22(7-9-23)18-13-20-12-15-4-2-3-5-17(15)18/h2-5,10,12-13H,6-9,11H2,1H3
InChIKeyMHJFSCZJLYVHOY-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.42
Rot. Bonds3

About 1-(4-isoquinolin-4-ylpiperazin-1-yl)-2-(3-methyl-1,2-oxazol-5-yl)ethanone

1-(4-isoquinolin-4-ylpiperazin-1-yl)-2-(3-methyl-1,2-oxazol-5-yl)ethanone (PubChem CID 155545133) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-(4-isoquinolin-4-ylpiperazin-1-yl)-2-(3-methyl-1,2-oxazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-isoquinolin-4-ylpiperazin-1-yl)-2-(3-methyl-1,2-oxazol-5-yl)ethanone
PubChem CID155545133
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name1-(4-isoquinolin-4-ylpiperazin-1-yl)-2-(3-methyl-1,2-oxazol-5-yl)ethanone
SMILESCc1cc(CC(=O)N2CCN(c3cncc4ccccc34)CC2)on1
InChIInChI=1S/C19H20N4O2/c1-14-10-16(25-21-14)11-19(24)23-8-6-22(7-9-23)18-13-20-12-15-4-2-3-5-17(15)18/h2-5,10,12-13H,6-9,11H2,1H3
InChIKeyMHJFSCZJLYVHOY-UHFFFAOYSA-N
XLogP2.42
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-isoquinolin-4-ylpiperazin-1-yl)-2-(3-methyl-1,2-oxazol-5-yl)ethanone?
The IUPAC name of 1-(4-isoquinolin-4-ylpiperazin-1-yl)-2-(3-methyl-1,2-oxazol-5-yl)ethanone (CID 155545133) is 1-(4-isoquinolin-4-ylpiperazin-1-yl)-2-(3-methyl-1,2-oxazol-5-yl)ethanone.
What is the SMILES notation for 1-(4-isoquinolin-4-ylpiperazin-1-yl)-2-(3-methyl-1,2-oxazol-5-yl)ethanone?
The canonical SMILES for 1-(4-isoquinolin-4-ylpiperazin-1-yl)-2-(3-methyl-1,2-oxazol-5-yl)ethanone is Cc1cc(CC(=O)N2CCN(c3cncc4ccccc34)CC2)on1.
What is the InChIKey of 1-(4-isoquinolin-4-ylpiperazin-1-yl)-2-(3-methyl-1,2-oxazol-5-yl)ethanone?
The InChIKey is MHJFSCZJLYVHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-14-10-16(25-21-14)11-19(24)23-8-6-22(7-9-23)18-13-20-12-15-4-2-3-5-17(15)18/h2-5,10,12-13H,6-9,11H2,1H3.
What are the key properties of 1-(4-isoquinolin-4-ylpiperazin-1-yl)-2-(3-methyl-1,2-oxazol-5-yl)ethanone?
1-(4-isoquinolin-4-ylpiperazin-1-yl)-2-(3-methyl-1,2-oxazol-5-yl)ethanone has a molecular weight of 336.40 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-isoquinolin-4-ylpiperazin-1-yl)-2-(3-methyl-1,2-oxazol-5-yl)ethanone is sourced from PubChem (CID 155545133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).