tert-butyl N-[(1R,5S)-6-[5-[4-(5-acetamido-2-oxo-1,3-oxazolidin-3-yl)-2-fluorophenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexan-6-yl]carbamate

C26H29FN4O6 — CID 70973614

About tert-butyl N-[(1R,5S)-6-[5-[4-(5-acetamido-2-oxo-1,3-oxazolidin-3-yl)-2-fluorophenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexan-6-yl]carbamate

tert-butyl N-[(1R,5S)-6-[5-[4-(5-acetamido-2-oxo-1,3-oxazolidin-3-yl)-2-fluorophenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexan-6-yl]carbamate (PubChem CID 70973614) has the molecular formula C26H29FN4O6 and a molecular weight of 512.54 g/mol. Its IUPAC name is tert-butyl N-[(1R,5S)-6-[5-[4-(5-acetamido-2-oxo-1,3-oxazolidin-3-yl)-2-fluorophenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexan-6-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[(1R,5S)-6-[5-[4-(5-acetamido-2-oxo-1,3-oxazolidin-3-yl)-2-fluorophenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexan-6-yl]carbamate
• PubChem CID: 70973614
• Molecular Formula: C26H29FN4O6
• Molecular Weight: 512.54 g/mol
• Exact Mass: 512.21
• IUPAC Name: tert-butyl N-[(1R,5S)-6-[5-[4-(5-acetamido-2-oxo-1,3-oxazolidin-3-yl)-2-fluorophenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexan-6-yl]carbamate
• SMILES: CC(=O)NC1CN(c2ccc(-c3ccc(C4(NC(=O)OC(C)(C)C)[C@@H]5COC[C@@H]54)nc3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C26H29FN4O6/c1-14(32)29-22-11-31(24(34)36-22)16-6-7-17(20(27)9-16)15-5-8-21(28-10-15)26(18-12-35-13-19(18)26)30-23(33)37-25(2,3)4/h5-10,18-19,22H,11-13H2,1-4H3,(H,29,32)(H,30,33)/t18-,19+,22?,26?
• InChIKey: CBPIRKCXQILBJX-CJAXHORVSA-N
• XLogP: 3.30
• TPSA: 119.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.54
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,5S)-6-[5-[4-(5-acetamido-2-oxo-1,3-oxazolidin-3-yl)-2-fluorophenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexan-6-yl]carbamate?

The IUPAC name of tert-butyl N-[(1R,5S)-6-[5-[4-(5-acetamido-2-oxo-1,3-oxazolidin-3-yl)-2-fluorophenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexan-6-yl]carbamate (CID 70973614) is tert-butyl N-[(1R,5S)-6-[5-[4-(5-acetamido-2-oxo-1,3-oxazolidin-3-yl)-2-fluorophenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexan-6-yl]carbamate.

What is the SMILES notation for tert-butyl N-[(1R,5S)-6-[5-[4-(5-acetamido-2-oxo-1,3-oxazolidin-3-yl)-2-fluorophenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexan-6-yl]carbamate?

The canonical SMILES for tert-butyl N-[(1R,5S)-6-[5-[4-(5-acetamido-2-oxo-1,3-oxazolidin-3-yl)-2-fluorophenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexan-6-yl]carbamate is CC(=O)NC1CN(c2ccc(-c3ccc(C4(NC(=O)OC(C)(C)C)[C@@H]5COC[C@@H]54)nc3)c(F)c2)C(=O)O1.

What is the InChIKey of tert-butyl N-[(1R,5S)-6-[5-[4-(5-acetamido-2-oxo-1,3-oxazolidin-3-yl)-2-fluorophenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexan-6-yl]carbamate?

The InChIKey is CBPIRKCXQILBJX-CJAXHORVSA-N. The full InChI is InChI=1S/C26H29FN4O6/c1-14(32)29-22-11-31(24(34)36-22)16-6-7-17(20(27)9-16)15-5-8-21(28-10-15)26(18-12-35-13-19(18)26)30-23(33)37-25(2,3)4/h5-10,18-19,22H,11-13H2,1-4H3,(H,29,32)(H,30,33)/t18-,19+,22?,26?.

What are the key properties of tert-butyl N-[(1R,5S)-6-[5-[4-(5-acetamido-2-oxo-1,3-oxazolidin-3-yl)-2-fluorophenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexan-6-yl]carbamate?

tert-butyl N-[(1R,5S)-6-[5-[4-(5-acetamido-2-oxo-1,3-oxazolidin-3-yl)-2-fluorophenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexan-6-yl]carbamate has a molecular weight of 512.54 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(1R,5S)-6-[5-[4-(5-acetamido-2-oxo-1,3-oxazolidin-3-yl)-2-fluorophenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexan-6-yl]carbamate is sourced from PubChem (CID 70973614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).