4-[2-fluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde

C19H19FN4O4 — CID 20725707

About 4-[2-fluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde

4-[2-fluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde (PubChem CID 20725707) has the molecular formula C19H19FN4O4 and a molecular weight of 386.38 g/mol. Its IUPAC name is 4-[2-fluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde.

Molecular Properties

• Compound Name: 4-[2-fluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde
• PubChem CID: 20725707
• Molecular Formula: C19H19FN4O4
• Molecular Weight: 386.38 g/mol
• Exact Mass: 386.14
• IUPAC Name: 4-[2-fluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde
• SMILES: O=CN1CC=C(c2ccc(N3C[C@H](CNc4ccon4)OC3=O)cc2F)CC1
• InChI: InChI=1S/C19H19FN4O4/c20-17-9-14(1-2-16(17)13-3-6-23(12-25)7-4-13)24-11-15(28-19(24)26)10-21-18-5-8-27-22-18/h1-3,5,8-9,12,15H,4,6-7,10-11H2,(H,21,22)/t15-/m0/s1
• InChIKey: TVZMSQYQGCEIKN-HNNXBMFYSA-N
• XLogP: 2.50
• TPSA: 87.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.38
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde?

The IUPAC name of 4-[2-fluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde (CID 20725707) is 4-[2-fluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde.

What is the SMILES notation for 4-[2-fluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde?

The canonical SMILES for 4-[2-fluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde is O=CN1CC=C(c2ccc(N3C[C@H](CNc4ccon4)OC3=O)cc2F)CC1.

What is the InChIKey of 4-[2-fluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde?

The InChIKey is TVZMSQYQGCEIKN-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H19FN4O4/c20-17-9-14(1-2-16(17)13-3-6-23(12-25)7-4-13)24-11-15(28-19(24)26)10-21-18-5-8-27-22-18/h1-3,5,8-9,12,15H,4,6-7,10-11H2,(H,21,22)/t15-/m0/s1.

What are the key properties of 4-[2-fluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde?

4-[2-fluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde has a molecular weight of 386.38 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-fluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde is sourced from PubChem (CID 20725707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).