3-(2,6-dichlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide

C18H15Cl2N3O3 — CID 56807943

About 3-(2,6-dichlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide

3-(2,6-dichlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 56807943) has the molecular formula C18H15Cl2N3O3 and a molecular weight of 392.24 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-(2,6-dichlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
• PubChem CID: 56807943
• Molecular Formula: C18H15Cl2N3O3
• Molecular Weight: 392.24 g/mol
• Exact Mass: 391.05
• IUPAC Name: 3-(2,6-dichlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
• SMILES: COc1ccc(CNC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cn1
• InChI: InChI=1S/C18H15Cl2N3O3/c1-10-15(17(23-26-10)16-12(19)4-3-5-13(16)20)18(24)22-9-11-6-7-14(25-2)21-8-11/h3-8H,9H2,1-2H3,(H,22,24)
• InChIKey: NLUGHCJNCVBDDS-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 77.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.24
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?

The IUPAC name of 3-(2,6-dichlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 56807943) is 3-(2,6-dichlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide.

What is the SMILES notation for 3-(2,6-dichlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?

The canonical SMILES for 3-(2,6-dichlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide is COc1ccc(CNC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cn1.

What is the InChIKey of 3-(2,6-dichlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?

The InChIKey is NLUGHCJNCVBDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O3/c1-10-15(17(23-26-10)16-12(19)4-3-5-13(16)20)18(24)22-9-11-6-7-14(25-2)21-8-11/h3-8H,9H2,1-2H3,(H,22,24).

What are the key properties of 3-(2,6-dichlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?

3-(2,6-dichlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 392.24 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,6-dichlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 56807943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).