2-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]oxyacetamide

C24H28FN7O5 — CID 135226468

About 2-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]oxyacetamide

2-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]oxyacetamide (PubChem CID 135226468) has the molecular formula C24H28FN7O5 and a molecular weight of 513.53 g/mol. Its IUPAC name is 2-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]oxyacetamide.

Molecular Properties

• Compound Name: 2-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]oxyacetamide
• PubChem CID: 135226468
• Molecular Formula: C24H28FN7O5
• Molecular Weight: 513.53 g/mol
• Exact Mass: 513.21
• IUPAC Name: 2-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]oxyacetamide
• SMILES: COCCN1C[C@@H](NC(=O)Nc2c(C)c(OCC(N)=O)nn2-c2ccccc2)[C@H](c2ccnc(F)c2)O1
• InChI: InChI=1S/C24H28FN7O5/c1-15-22(32(17-6-4-3-5-7-17)30-23(15)36-14-20(26)33)29-24(34)28-18-13-31(10-11-35-2)37-21(18)16-8-9-27-19(25)12-16/h3-9,12,18,21H,10-11,13-14H2,1-2H3,(H2,26,33)(H2,28,29,34)/t18-,21+/m1/s1
• InChIKey: WHTIEOUZVYCOLY-NQIIRXRSSA-N
• XLogP: 1.70
• TPSA: 145.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.53
LogP ≤ 5	1.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]oxyacetamide?

The IUPAC name of 2-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]oxyacetamide (CID 135226468) is 2-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]oxyacetamide.

What is the SMILES notation for 2-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]oxyacetamide?

The canonical SMILES for 2-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]oxyacetamide is COCCN1C[C@@H](NC(=O)Nc2c(C)c(OCC(N)=O)nn2-c2ccccc2)[C@H](c2ccnc(F)c2)O1.

What is the InChIKey of 2-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]oxyacetamide?

The InChIKey is WHTIEOUZVYCOLY-NQIIRXRSSA-N. The full InChI is InChI=1S/C24H28FN7O5/c1-15-22(32(17-6-4-3-5-7-17)30-23(15)36-14-20(26)33)29-24(34)28-18-13-31(10-11-35-2)37-21(18)16-8-9-27-19(25)12-16/h3-9,12,18,21H,10-11,13-14H2,1-2H3,(H2,26,33)(H2,28,29,34)/t18-,21+/m1/s1.

What are the key properties of 2-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]oxyacetamide?

2-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]oxyacetamide has a molecular weight of 513.53 g/mol, XLogP of 1.70, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[[(4R,5S)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]oxyacetamide is sourced from PubChem (CID 135226468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).