3-[4-[[4-carbamoyl-3-[(4-chloro-2,6-difluorophenyl)methoxy]-1,2-thiazol-5-yl]carbamoylamino]-2-hydroxybutanoyl]-1,3-oxazolidine-4-carboxylic acid

C20H20ClF2N5O8S — CID 11478581

About 3-[4-[[4-carbamoyl-3-[(4-chloro-2,6-difluorophenyl)methoxy]-1,2-thiazol-5-yl]carbamoylamino]-2-hydroxybutanoyl]-1,3-oxazolidine-4-carboxylic acid

3-[4-[[4-carbamoyl-3-[(4-chloro-2,6-difluorophenyl)methoxy]-1,2-thiazol-5-yl]carbamoylamino]-2-hydroxybutanoyl]-1,3-oxazolidine-4-carboxylic acid (PubChem CID 11478581) has the molecular formula C20H20ClF2N5O8S and a molecular weight of 563.92 g/mol. Its IUPAC name is 3-[4-[[4-carbamoyl-3-[(4-chloro-2,6-difluorophenyl)methoxy]-1,2-thiazol-5-yl]carbamoylamino]-2-hydroxybutanoyl]-1,3-oxazolidine-4-carboxylic acid.

Molecular Properties

• Compound Name: 3-[4-[[4-carbamoyl-3-[(4-chloro-2,6-difluorophenyl)methoxy]-1,2-thiazol-5-yl]carbamoylamino]-2-hydroxybutanoyl]-1,3-oxazolidine-4-carboxylic acid
• PubChem CID: 11478581
• Molecular Formula: C20H20ClF2N5O8S
• Molecular Weight: 563.92 g/mol
• Exact Mass: 563.07
• IUPAC Name: 3-[4-[[4-carbamoyl-3-[(4-chloro-2,6-difluorophenyl)methoxy]-1,2-thiazol-5-yl]carbamoylamino]-2-hydroxybutanoyl]-1,3-oxazolidine-4-carboxylic acid
• SMILES: NC(=O)c1c(OCc2c(F)cc(Cl)cc2F)nsc1NC(=O)NCCC(O)C(=O)N1COCC1C(=O)O
• InChI: InChI=1S/C20H20ClF2N5O8S/c21-8-3-10(22)9(11(23)4-8)5-36-16-14(15(24)30)17(37-27-16)26-20(34)25-2-1-13(29)18(31)28-7-35-6-12(28)19(32)33/h3-4,12-13,29H,1-2,5-7H2,(H2,24,30)(H,32,33)(H2,25,26,34)
• InChIKey: HILRRXPSHOFGLI-UHFFFAOYSA-N
• XLogP: 0.89
• TPSA: 193.41 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	563.92
LogP ≤ 5	0.89
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[4-carbamoyl-3-[(4-chloro-2,6-difluorophenyl)methoxy]-1,2-thiazol-5-yl]carbamoylamino]-2-hydroxybutanoyl]-1,3-oxazolidine-4-carboxylic acid?

The IUPAC name of 3-[4-[[4-carbamoyl-3-[(4-chloro-2,6-difluorophenyl)methoxy]-1,2-thiazol-5-yl]carbamoylamino]-2-hydroxybutanoyl]-1,3-oxazolidine-4-carboxylic acid (CID 11478581) is 3-[4-[[4-carbamoyl-3-[(4-chloro-2,6-difluorophenyl)methoxy]-1,2-thiazol-5-yl]carbamoylamino]-2-hydroxybutanoyl]-1,3-oxazolidine-4-carboxylic acid.

What is the SMILES notation for 3-[4-[[4-carbamoyl-3-[(4-chloro-2,6-difluorophenyl)methoxy]-1,2-thiazol-5-yl]carbamoylamino]-2-hydroxybutanoyl]-1,3-oxazolidine-4-carboxylic acid?

The canonical SMILES for 3-[4-[[4-carbamoyl-3-[(4-chloro-2,6-difluorophenyl)methoxy]-1,2-thiazol-5-yl]carbamoylamino]-2-hydroxybutanoyl]-1,3-oxazolidine-4-carboxylic acid is NC(=O)c1c(OCc2c(F)cc(Cl)cc2F)nsc1NC(=O)NCCC(O)C(=O)N1COCC1C(=O)O.

What is the InChIKey of 3-[4-[[4-carbamoyl-3-[(4-chloro-2,6-difluorophenyl)methoxy]-1,2-thiazol-5-yl]carbamoylamino]-2-hydroxybutanoyl]-1,3-oxazolidine-4-carboxylic acid?

The InChIKey is HILRRXPSHOFGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClF2N5O8S/c21-8-3-10(22)9(11(23)4-8)5-36-16-14(15(24)30)17(37-27-16)26-20(34)25-2-1-13(29)18(31)28-7-35-6-12(28)19(32)33/h3-4,12-13,29H,1-2,5-7H2,(H2,24,30)(H,32,33)(H2,25,26,34).

What are the key properties of 3-[4-[[4-carbamoyl-3-[(4-chloro-2,6-difluorophenyl)methoxy]-1,2-thiazol-5-yl]carbamoylamino]-2-hydroxybutanoyl]-1,3-oxazolidine-4-carboxylic acid?

3-[4-[[4-carbamoyl-3-[(4-chloro-2,6-difluorophenyl)methoxy]-1,2-thiazol-5-yl]carbamoylamino]-2-hydroxybutanoyl]-1,3-oxazolidine-4-carboxylic acid has a molecular weight of 563.92 g/mol, XLogP of 0.89, 10 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[[4-carbamoyl-3-[(4-chloro-2,6-difluorophenyl)methoxy]-1,2-thiazol-5-yl]carbamoylamino]-2-hydroxybutanoyl]-1,3-oxazolidine-4-carboxylic acid is sourced from PubChem (CID 11478581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).