N-[[3-[3-fluoro-4-[5-[3-(methoxyamino)but-2-enyl]-1,3,4-thiadiazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C19H22FN5O4S — CID 57150966

About N-[[3-[3-fluoro-4-[5-[3-(methoxyamino)but-2-enyl]-1,3,4-thiadiazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[3-[3-fluoro-4-[5-[3-(methoxyamino)but-2-enyl]-1,3,4-thiadiazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 57150966) has the molecular formula C19H22FN5O4S and a molecular weight of 435.48 g/mol. Its IUPAC name is N-[[3-[3-fluoro-4-[5-[3-(methoxyamino)but-2-enyl]-1,3,4-thiadiazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[3-[3-fluoro-4-[5-[3-(methoxyamino)but-2-enyl]-1,3,4-thiadiazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 57150966
• Molecular Formula: C19H22FN5O4S
• Molecular Weight: 435.48 g/mol
• Exact Mass: 435.14
• IUPAC Name: N-[[3-[3-fluoro-4-[5-[3-(methoxyamino)but-2-enyl]-1,3,4-thiadiazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CONC(C)=CCc1nnc(-c2ccc(N3CC(CNC(C)=O)OC3=O)cc2F)s1
• InChI: InChI=1S/C19H22FN5O4S/c1-11(24-28-3)4-7-17-22-23-18(30-17)15-6-5-13(8-16(15)20)25-10-14(29-19(25)27)9-21-12(2)26/h4-6,8,14,24H,7,9-10H2,1-3H3,(H,21,26)
• InChIKey: SREKOGYSGCOEOH-UHFFFAOYSA-N
• XLogP: 2.40
• TPSA: 105.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.48
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-fluoro-4-[5-[3-(methoxyamino)but-2-enyl]-1,3,4-thiadiazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The IUPAC name of N-[[3-[3-fluoro-4-[5-[3-(methoxyamino)but-2-enyl]-1,3,4-thiadiazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 57150966) is N-[[3-[3-fluoro-4-[5-[3-(methoxyamino)but-2-enyl]-1,3,4-thiadiazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

What is the SMILES notation for N-[[3-[3-fluoro-4-[5-[3-(methoxyamino)but-2-enyl]-1,3,4-thiadiazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The canonical SMILES for N-[[3-[3-fluoro-4-[5-[3-(methoxyamino)but-2-enyl]-1,3,4-thiadiazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CONC(C)=CCc1nnc(-c2ccc(N3CC(CNC(C)=O)OC3=O)cc2F)s1.

What is the InChIKey of N-[[3-[3-fluoro-4-[5-[3-(methoxyamino)but-2-enyl]-1,3,4-thiadiazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The InChIKey is SREKOGYSGCOEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O4S/c1-11(24-28-3)4-7-17-22-23-18(30-17)15-6-5-13(8-16(15)20)25-10-14(29-19(25)27)9-21-12(2)26/h4-6,8,14,24H,7,9-10H2,1-3H3,(H,21,26).

What are the key properties of N-[[3-[3-fluoro-4-[5-[3-(methoxyamino)but-2-enyl]-1,3,4-thiadiazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

N-[[3-[3-fluoro-4-[5-[3-(methoxyamino)but-2-enyl]-1,3,4-thiadiazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 435.48 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[3-fluoro-4-[5-[3-(methoxyamino)but-2-enyl]-1,3,4-thiadiazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 57150966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).