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

C27H29FN6O5 — CID 68615492

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

tert-butyl N-[6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexan-6-yl]carbamate (PubChem CID 68615492) has the molecular formula C27H29FN6O5 and a molecular weight of 536.56 g/mol. Its IUPAC name is tert-butyl N-[6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexan-6-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexan-6-yl]carbamate
• PubChem CID: 68615492
• Molecular Formula: C27H29FN6O5
• Molecular Weight: 536.56 g/mol
• Exact Mass: 536.22
• IUPAC Name: tert-butyl N-[6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexan-6-yl]carbamate
• SMILES: CC(C)(C)OC(=O)NC1(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)C2COCC21
• InChI: InChI=1S/C27H29FN6O5/c1-26(2,3)39-24(35)31-27(20-14-37-15-21(20)27)23-7-4-16(11-29-23)19-6-5-17(10-22(19)28)34-13-18(38-25(34)36)12-33-9-8-30-32-33/h4-11,18,20-21H,12-15H2,1-3H3,(H,31,35)/t18-,20?,21?,27?/m0/s1
• InChIKey: VPFWWCZHFLHIPD-ABVMKYQASA-N
• XLogP: 3.50
• TPSA: 120.70 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	536.56
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of tert-butyl N-[6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexan-6-yl]carbamate (CID 68615492) is tert-butyl N-[6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexan-6-yl]carbamate.

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

The canonical SMILES for tert-butyl N-[6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexan-6-yl]carbamate is CC(C)(C)OC(=O)NC1(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)C2COCC21.

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

The InChIKey is VPFWWCZHFLHIPD-ABVMKYQASA-N. The full InChI is InChI=1S/C27H29FN6O5/c1-26(2,3)39-24(35)31-27(20-14-37-15-21(20)27)23-7-4-16(11-29-23)19-6-5-17(10-22(19)28)34-13-18(38-25(34)36)12-33-9-8-30-32-33/h4-11,18,20-21H,12-15H2,1-3H3,(H,31,35)/t18-,20?,21?,27?/m0/s1.

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

tert-butyl N-[6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexan-6-yl]carbamate has a molecular weight of 536.56 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexan-6-yl]carbamate is sourced from PubChem (CID 68615492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).