5-(4-chlorophenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,2-oxazole-3-carboxamide

C21H16ClN3O3 — CID 110619595

About 5-(4-chlorophenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,2-oxazole-3-carboxamide

5-(4-chlorophenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 110619595) has the molecular formula C21H16ClN3O3 and a molecular weight of 393.83 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(4-chlorophenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 110619595
• Molecular Formula: C21H16ClN3O3
• Molecular Weight: 393.83 g/mol
• Exact Mass: 393.09
• IUPAC Name: 5-(4-chlorophenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,2-oxazole-3-carboxamide
• SMILES: Cc1ccc2[nH]c(=O)c(CNC(=O)c3cc(-c4ccc(Cl)cc4)on3)cc2c1
• InChI: InChI=1S/C21H16ClN3O3/c1-12-2-7-17-14(8-12)9-15(20(26)24-17)11-23-21(27)18-10-19(28-25-18)13-3-5-16(22)6-4-13/h2-10H,11H2,1H3,(H,23,27)(H,24,26)
• InChIKey: BAWJRQJTQSZSTF-UHFFFAOYSA-N
• XLogP: 4.07
• TPSA: 87.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.83
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-(4-chlorophenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,2-oxazole-3-carboxamide (CID 110619595) is 5-(4-chlorophenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-(4-chlorophenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-(4-chlorophenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,2-oxazole-3-carboxamide is Cc1ccc2[nH]c(=O)c(CNC(=O)c3cc(-c4ccc(Cl)cc4)on3)cc2c1.

What is the InChIKey of 5-(4-chlorophenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,2-oxazole-3-carboxamide?

The InChIKey is BAWJRQJTQSZSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O3/c1-12-2-7-17-14(8-12)9-15(20(26)24-17)11-23-21(27)18-10-19(28-25-18)13-3-5-16(22)6-4-13/h2-10H,11H2,1H3,(H,23,27)(H,24,26).

What are the key properties of 5-(4-chlorophenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,2-oxazole-3-carboxamide?

5-(4-chlorophenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 393.83 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-chlorophenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 110619595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).