N-[[(5S)-3-[3-fluoro-4-[4-[5-(4-methyl-1,3-dioxetan-2-yl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide

C19H17FN6O6 — CID 89230558

About N-[[(5S)-3-[3-fluoro-4-[4-[5-(4-methyl-1,3-dioxetan-2-yl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide

N-[[(5S)-3-[3-fluoro-4-[4-[5-(4-methyl-1,3-dioxetan-2-yl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide (PubChem CID 89230558) has the molecular formula C19H17FN6O6 and a molecular weight of 444.38 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[4-[5-(4-methyl-1,3-dioxetan-2-yl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide.

Molecular Properties

• Compound Name: N-[[(5S)-3-[3-fluoro-4-[4-[5-(4-methyl-1,3-dioxetan-2-yl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide
• PubChem CID: 89230558
• Molecular Formula: C19H17FN6O6
• Molecular Weight: 444.38 g/mol
• Exact Mass: 444.12
• IUPAC Name: N-[[(5S)-3-[3-fluoro-4-[4-[5-(4-methyl-1,3-dioxetan-2-yl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide
• SMILES: CC1OC(c2nc(-c3cnn(-c4ccc(N5C[C@H](CNC=O)OC5=O)cc4F)c3)no2)O1
• InChI: InChI=1S/C19H17FN6O6/c1-10-29-18(30-10)17-23-16(24-32-17)11-5-22-26(7-11)15-3-2-12(4-14(15)20)25-8-13(6-21-9-27)31-19(25)28/h2-5,7,9-10,13,18H,6,8H2,1H3,(H,21,27)/t10?,13-,18?/m0/s1
• InChIKey: UAKQMWCACASPOA-GHIVCGBISA-N
• XLogP: 1.52
• TPSA: 133.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.38
LogP ≤ 5	1.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-[5-(4-methyl-1,3-dioxetan-2-yl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide?

The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-[5-(4-methyl-1,3-dioxetan-2-yl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide (CID 89230558) is N-[[(5S)-3-[3-fluoro-4-[4-[5-(4-methyl-1,3-dioxetan-2-yl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide.

What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[4-[5-(4-methyl-1,3-dioxetan-2-yl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide?

The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[4-[5-(4-methyl-1,3-dioxetan-2-yl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide is CC1OC(c2nc(-c3cnn(-c4ccc(N5C[C@H](CNC=O)OC5=O)cc4F)c3)no2)O1.

What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[4-[5-(4-methyl-1,3-dioxetan-2-yl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide?

The InChIKey is UAKQMWCACASPOA-GHIVCGBISA-N. The full InChI is InChI=1S/C19H17FN6O6/c1-10-29-18(30-10)17-23-16(24-32-17)11-5-22-26(7-11)15-3-2-12(4-14(15)20)25-8-13(6-21-9-27)31-19(25)28/h2-5,7,9-10,13,18H,6,8H2,1H3,(H,21,27)/t10?,13-,18?/m0/s1.

What are the key properties of N-[[(5S)-3-[3-fluoro-4-[4-[5-(4-methyl-1,3-dioxetan-2-yl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide?

N-[[(5S)-3-[3-fluoro-4-[4-[5-(4-methyl-1,3-dioxetan-2-yl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide has a molecular weight of 444.38 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[3-fluoro-4-[4-[5-(4-methyl-1,3-dioxetan-2-yl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide is sourced from PubChem (CID 89230558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).