4-(6-chloropyridazin-3-yl)-3-pyrazin-2-yl-5-pyridazin-3-yl-1,2-benzoxazole

C19H10ClN7O — CID 175234491

IUPAC4-(6-chloropyridazin-3-yl)-3-pyrazin-2-yl-5-pyridazin-3-yl-1,2-benzoxazole
SMILESClc1ccc(-c2c(-c3cccnn3)ccc3onc(-c4cnccn4)c23)nn1
InChIInChI=1S/C19H10ClN7O/c20-16-6-4-13(25-26-16)17-11(12-2-1-7-23-24-12)3-5-15-18(17)19(27-28-15)14-10-21-8-9-22-14/h1-10H
InChIKeyKTQXALQYIBENRN-UHFFFAOYSA-N
MW387.79 g/mol
LogP3.85
Rot. Bonds3

About 4-(6-chloropyridazin-3-yl)-3-pyrazin-2-yl-5-pyridazin-3-yl-1,2-benzoxazole

4-(6-chloropyridazin-3-yl)-3-pyrazin-2-yl-5-pyridazin-3-yl-1,2-benzoxazole (PubChem CID 175234491) has the molecular formula C19H10ClN7O and a molecular weight of 387.79 g/mol. Its IUPAC name is 4-(6-chloropyridazin-3-yl)-3-pyrazin-2-yl-5-pyridazin-3-yl-1,2-benzoxazole.

Molecular Properties

Compound Name4-(6-chloropyridazin-3-yl)-3-pyrazin-2-yl-5-pyridazin-3-yl-1,2-benzoxazole
PubChem CID175234491
Molecular FormulaC19H10ClN7O
Molecular Weight387.79 g/mol
Exact Mass387.06
IUPAC Name4-(6-chloropyridazin-3-yl)-3-pyrazin-2-yl-5-pyridazin-3-yl-1,2-benzoxazole
SMILESClc1ccc(-c2c(-c3cccnn3)ccc3onc(-c4cnccn4)c23)nn1
InChIInChI=1S/C19H10ClN7O/c20-16-6-4-13(25-26-16)17-11(12-2-1-7-23-24-12)3-5-15-18(17)19(27-28-15)14-10-21-8-9-22-14/h1-10H
InChIKeyKTQXALQYIBENRN-UHFFFAOYSA-N
XLogP3.85
TPSA103.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.79
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloropyridazin-3-yl)-3-pyrazin-2-yl-5-pyridazin-3-yl-1,2-benzoxazole?
The IUPAC name of 4-(6-chloropyridazin-3-yl)-3-pyrazin-2-yl-5-pyridazin-3-yl-1,2-benzoxazole (CID 175234491) is 4-(6-chloropyridazin-3-yl)-3-pyrazin-2-yl-5-pyridazin-3-yl-1,2-benzoxazole.
What is the SMILES notation for 4-(6-chloropyridazin-3-yl)-3-pyrazin-2-yl-5-pyridazin-3-yl-1,2-benzoxazole?
The canonical SMILES for 4-(6-chloropyridazin-3-yl)-3-pyrazin-2-yl-5-pyridazin-3-yl-1,2-benzoxazole is Clc1ccc(-c2c(-c3cccnn3)ccc3onc(-c4cnccn4)c23)nn1.
What is the InChIKey of 4-(6-chloropyridazin-3-yl)-3-pyrazin-2-yl-5-pyridazin-3-yl-1,2-benzoxazole?
The InChIKey is KTQXALQYIBENRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClN7O/c20-16-6-4-13(25-26-16)17-11(12-2-1-7-23-24-12)3-5-15-18(17)19(27-28-15)14-10-21-8-9-22-14/h1-10H.
What are the key properties of 4-(6-chloropyridazin-3-yl)-3-pyrazin-2-yl-5-pyridazin-3-yl-1,2-benzoxazole?
4-(6-chloropyridazin-3-yl)-3-pyrazin-2-yl-5-pyridazin-3-yl-1,2-benzoxazole has a molecular weight of 387.79 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloropyridazin-3-yl)-3-pyrazin-2-yl-5-pyridazin-3-yl-1,2-benzoxazole is sourced from PubChem (CID 175234491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).