tert-butyl N-[(1R,5S)-3-[3-fluoro-5-[4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate

C27H30FN7O4 — CID 11421287

About tert-butyl N-[(1R,5S)-3-[3-fluoro-5-[4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate

tert-butyl N-[(1R,5S)-3-[3-fluoro-5-[4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate (PubChem CID 11421287) has the molecular formula C27H30FN7O4 and a molecular weight of 535.58 g/mol. Its IUPAC name is tert-butyl N-[(1R,5S)-3-[3-fluoro-5-[4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[(1R,5S)-3-[3-fluoro-5-[4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate
• PubChem CID: 11421287
• Molecular Formula: C27H30FN7O4
• Molecular Weight: 535.58 g/mol
• Exact Mass: 535.23
• IUPAC Name: tert-butyl N-[(1R,5S)-3-[3-fluoro-5-[4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate
• SMILES: CC(C)(C)OC(=O)NC1[C@H]2CN(c3ncc(-c4ccc(N5C[C@H](Cn6ccnn6)OC5=O)cc4)cc3F)C[C@@H]12
• InChI: InChI=1S/C27H30FN7O4/c1-27(2,3)39-25(36)31-23-20-14-33(15-21(20)23)24-22(28)10-17(11-29-24)16-4-6-18(7-5-16)35-13-19(38-26(35)37)12-34-9-8-30-32-34/h4-11,19-21,23H,12-15H2,1-3H3,(H,31,36)/t19-,20-,21+,23?/m0/s1
• InChIKey: DGVGCIFFTWXVKE-ZDIDWYTNSA-N
• XLogP: 3.46
• TPSA: 114.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.58
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,5S)-3-[3-fluoro-5-[4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate?

The IUPAC name of tert-butyl N-[(1R,5S)-3-[3-fluoro-5-[4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate (CID 11421287) is tert-butyl N-[(1R,5S)-3-[3-fluoro-5-[4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate.

What is the SMILES notation for tert-butyl N-[(1R,5S)-3-[3-fluoro-5-[4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate?

The canonical SMILES for tert-butyl N-[(1R,5S)-3-[3-fluoro-5-[4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate is CC(C)(C)OC(=O)NC1[C@H]2CN(c3ncc(-c4ccc(N5C[C@H](Cn6ccnn6)OC5=O)cc4)cc3F)C[C@@H]12.

What is the InChIKey of tert-butyl N-[(1R,5S)-3-[3-fluoro-5-[4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate?

The InChIKey is DGVGCIFFTWXVKE-ZDIDWYTNSA-N. The full InChI is InChI=1S/C27H30FN7O4/c1-27(2,3)39-25(36)31-23-20-14-33(15-21(20)23)24-22(28)10-17(11-29-24)16-4-6-18(7-5-16)35-13-19(38-26(35)37)12-34-9-8-30-32-34/h4-11,19-21,23H,12-15H2,1-3H3,(H,31,36)/t19-,20-,21+,23?/m0/s1.

What are the key properties of tert-butyl N-[(1R,5S)-3-[3-fluoro-5-[4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate?

tert-butyl N-[(1R,5S)-3-[3-fluoro-5-[4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate has a molecular weight of 535.58 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(1R,5S)-3-[3-fluoro-5-[4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate is sourced from PubChem (CID 11421287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).