[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(2-pyridazin-4-yl-1,3-oxazol-4-yl)methanone

C25H19ClN4O3 — CID 67244092

About [1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(2-pyridazin-4-yl-1,3-oxazol-4-yl)methanone

[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(2-pyridazin-4-yl-1,3-oxazol-4-yl)methanone (PubChem CID 67244092) has the molecular formula C25H19ClN4O3 and a molecular weight of 458.91 g/mol. Its IUPAC name is [1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(2-pyridazin-4-yl-1,3-oxazol-4-yl)methanone.

Molecular Properties

• Compound Name: [1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(2-pyridazin-4-yl-1,3-oxazol-4-yl)methanone
• PubChem CID: 67244092
• Molecular Formula: C25H19ClN4O3
• Molecular Weight: 458.91 g/mol
• Exact Mass: 458.11
• IUPAC Name: [1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(2-pyridazin-4-yl-1,3-oxazol-4-yl)methanone
• SMILES: COc1ccc2c(c1)c(C(=O)c1coc(-c3ccnnc3)n1)c(C)n2Cc1ccc(Cl)cc1
• InChI: InChI=1S/C25H19ClN4O3/c1-15-23(24(31)21-14-33-25(29-21)17-9-10-27-28-12-17)20-11-19(32-2)7-8-22(20)30(15)13-16-3-5-18(26)6-4-16/h3-12,14H,13H2,1-2H3
• InChIKey: BWKHKENSXSOVBJ-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 83.04 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.91
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(2-pyridazin-4-yl-1,3-oxazol-4-yl)methanone?

The IUPAC name of [1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(2-pyridazin-4-yl-1,3-oxazol-4-yl)methanone (CID 67244092) is [1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(2-pyridazin-4-yl-1,3-oxazol-4-yl)methanone.

What is the SMILES notation for [1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(2-pyridazin-4-yl-1,3-oxazol-4-yl)methanone?

The canonical SMILES for [1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(2-pyridazin-4-yl-1,3-oxazol-4-yl)methanone is COc1ccc2c(c1)c(C(=O)c1coc(-c3ccnnc3)n1)c(C)n2Cc1ccc(Cl)cc1.

What is the InChIKey of [1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(2-pyridazin-4-yl-1,3-oxazol-4-yl)methanone?

The InChIKey is BWKHKENSXSOVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN4O3/c1-15-23(24(31)21-14-33-25(29-21)17-9-10-27-28-12-17)20-11-19(32-2)7-8-22(20)30(15)13-16-3-5-18(26)6-4-16/h3-12,14H,13H2,1-2H3.

What are the key properties of [1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(2-pyridazin-4-yl-1,3-oxazol-4-yl)methanone?

[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(2-pyridazin-4-yl-1,3-oxazol-4-yl)methanone has a molecular weight of 458.91 g/mol, XLogP of 5.34, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(2-pyridazin-4-yl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 67244092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).