5-methyl-7-[3-[(4-methyl-1,3-oxazol-2-yl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid

C20H17N7O5S — CID 142434928

About 5-methyl-7-[3-[(4-methyl-1,3-oxazol-2-yl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid

5-methyl-7-[3-[(4-methyl-1,3-oxazol-2-yl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 142434928) has the molecular formula C20H17N7O5S and a molecular weight of 467.47 g/mol. Its IUPAC name is 5-methyl-7-[3-[(4-methyl-1,3-oxazol-2-yl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-methyl-7-[3-[(4-methyl-1,3-oxazol-2-yl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 142434928
• Molecular Formula: C20H17N7O5S
• Molecular Weight: 467.47 g/mol
• Exact Mass: 467.10
• IUPAC Name: 5-methyl-7-[3-[(4-methyl-1,3-oxazol-2-yl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
• SMILES: Cc1coc(NC(=O)C2CN(c3cc(C)c4c(=O)c(C(=O)O)cn(-c5ncns5)c4n3)C2)n1
• InChI: InChI=1S/C20H17N7O5S/c1-9-3-13(26-4-11(5-26)17(29)25-19-23-10(2)7-32-19)24-16-14(9)15(28)12(18(30)31)6-27(16)20-21-8-22-33-20/h3,6-8,11H,4-5H2,1-2H3,(H,30,31)(H,23,25,29)
• InChIKey: WATQWQCHNARJOY-UHFFFAOYSA-N
• XLogP: 1.62
• TPSA: 156.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.47
LogP ≤ 5	1.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-[3-[(4-methyl-1,3-oxazol-2-yl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?

The IUPAC name of 5-methyl-7-[3-[(4-methyl-1,3-oxazol-2-yl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (CID 142434928) is 5-methyl-7-[3-[(4-methyl-1,3-oxazol-2-yl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.

What is the SMILES notation for 5-methyl-7-[3-[(4-methyl-1,3-oxazol-2-yl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?

The canonical SMILES for 5-methyl-7-[3-[(4-methyl-1,3-oxazol-2-yl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is Cc1coc(NC(=O)C2CN(c3cc(C)c4c(=O)c(C(=O)O)cn(-c5ncns5)c4n3)C2)n1.

What is the InChIKey of 5-methyl-7-[3-[(4-methyl-1,3-oxazol-2-yl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?

The InChIKey is WATQWQCHNARJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7O5S/c1-9-3-13(26-4-11(5-26)17(29)25-19-23-10(2)7-32-19)24-16-14(9)15(28)12(18(30)31)6-27(16)20-21-8-22-33-20/h3,6-8,11H,4-5H2,1-2H3,(H,30,31)(H,23,25,29).

What are the key properties of 5-methyl-7-[3-[(4-methyl-1,3-oxazol-2-yl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?

5-methyl-7-[3-[(4-methyl-1,3-oxazol-2-yl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 467.47 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-7-[3-[(4-methyl-1,3-oxazol-2-yl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 142434928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).