2-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]-1,3-oxazole

C22H16N4O — CID 118660670

IUPAC2-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]-1,3-oxazole
SMILESCn1cc(-c2ccc(-c3cncc4ccc(-c5ncco5)cc34)cc2)cn1
InChIInChI=1S/C22H16N4O/c1-26-14-19(12-25-26)15-2-4-16(5-3-15)21-13-23-11-18-7-6-17(10-20(18)21)22-24-8-9-27-22/h2-14H,1H3
InChIKeyBWDARHFPTQIHIU-UHFFFAOYSA-N
MW352.40 g/mol
LogP4.96
Rot. Bonds3

About 2-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]-1,3-oxazole

2-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]-1,3-oxazole (PubChem CID 118660670) has the molecular formula C22H16N4O and a molecular weight of 352.40 g/mol. Its IUPAC name is 2-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]-1,3-oxazole
PubChem CID118660670
Molecular FormulaC22H16N4O
Molecular Weight352.40 g/mol
Exact Mass352.13
IUPAC Name2-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]-1,3-oxazole
SMILESCn1cc(-c2ccc(-c3cncc4ccc(-c5ncco5)cc34)cc2)cn1
InChIInChI=1S/C22H16N4O/c1-26-14-19(12-25-26)15-2-4-16(5-3-15)21-13-23-11-18-7-6-17(10-20(18)21)22-24-8-9-27-22/h2-14H,1H3
InChIKeyBWDARHFPTQIHIU-UHFFFAOYSA-N
XLogP4.96
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]-1,3-oxazole?
The IUPAC name of 2-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]-1,3-oxazole (CID 118660670) is 2-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]-1,3-oxazole.
What is the SMILES notation for 2-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]-1,3-oxazole?
The canonical SMILES for 2-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]-1,3-oxazole is Cn1cc(-c2ccc(-c3cncc4ccc(-c5ncco5)cc34)cc2)cn1.
What is the InChIKey of 2-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]-1,3-oxazole?
The InChIKey is BWDARHFPTQIHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O/c1-26-14-19(12-25-26)15-2-4-16(5-3-15)21-13-23-11-18-7-6-17(10-20(18)21)22-24-8-9-27-22/h2-14H,1H3.
What are the key properties of 2-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]-1,3-oxazole?
2-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]-1,3-oxazole has a molecular weight of 352.40 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]-1,3-oxazole is sourced from PubChem (CID 118660670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).