tert-butyl N-[1-[5-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]cyclopropyl]carbamate

C26H27FN4O6 — CID 11386671

About tert-butyl N-[1-[5-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]cyclopropyl]carbamate

tert-butyl N-[1-[5-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]cyclopropyl]carbamate (PubChem CID 11386671) has the molecular formula C26H27FN4O6 and a molecular weight of 510.52 g/mol. Its IUPAC name is tert-butyl N-[1-[5-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]cyclopropyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[1-[5-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]cyclopropyl]carbamate
• PubChem CID: 11386671
• Molecular Formula: C26H27FN4O6
• Molecular Weight: 510.52 g/mol
• Exact Mass: 510.19
• IUPAC Name: tert-butyl N-[1-[5-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]cyclopropyl]carbamate
• SMILES: CC(C)(C)OC(=O)NC1(c2ccc(-c3ccc(N4C[C@H](COc5ccon5)OC4=O)cc3F)cn2)CC1
• InChI: InChI=1S/C26H27FN4O6/c1-25(2,3)37-23(32)29-26(9-10-26)21-7-4-16(13-28-21)19-6-5-17(12-20(19)27)31-14-18(36-24(31)33)15-34-22-8-11-35-30-22/h4-8,11-13,18H,9-10,14-15H2,1-3H3,(H,29,32)/t18-/m1/s1
• InChIKey: KZXJIUSRIPSRIG-GOSISDBHSA-N
• XLogP: 4.79
• TPSA: 116.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.52
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[5-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]cyclopropyl]carbamate?

The IUPAC name of tert-butyl N-[1-[5-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]cyclopropyl]carbamate (CID 11386671) is tert-butyl N-[1-[5-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]cyclopropyl]carbamate.

What is the SMILES notation for tert-butyl N-[1-[5-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]cyclopropyl]carbamate?

The canonical SMILES for tert-butyl N-[1-[5-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]cyclopropyl]carbamate is CC(C)(C)OC(=O)NC1(c2ccc(-c3ccc(N4C[C@H](COc5ccon5)OC4=O)cc3F)cn2)CC1.

What is the InChIKey of tert-butyl N-[1-[5-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]cyclopropyl]carbamate?

The InChIKey is KZXJIUSRIPSRIG-GOSISDBHSA-N. The full InChI is InChI=1S/C26H27FN4O6/c1-25(2,3)37-23(32)29-26(9-10-26)21-7-4-16(13-28-21)19-6-5-17(12-20(19)27)31-14-18(36-24(31)33)15-34-22-8-11-35-30-22/h4-8,11-13,18H,9-10,14-15H2,1-3H3,(H,29,32)/t18-/m1/s1.

What are the key properties of tert-butyl N-[1-[5-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]cyclopropyl]carbamate?

tert-butyl N-[1-[5-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]cyclopropyl]carbamate has a molecular weight of 510.52 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-[5-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]cyclopropyl]carbamate is sourced from PubChem (CID 11386671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).