tert-butyl N-[(1R,5S)-3-[5-[2-fluoro-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 58941153

IUPACtert-butyl N-[(1R,5S)-3-[5-[2-fluoro-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
SMILESCC(C)(C)OC(=O)NC1[C@H]2CN(c3ccc(-c4ccc(N5C[C@H](Cn6ccnn6)OC5=O)cc4F)cn3)C[C@@H]12
InChIInChI=1S/C27H30FN7O4/c1-27(2,3)39-25(36)31-24-20-14-33(15-21(20)24)23-7-4-16(11-29-23)19-6-5-17(10-22(19)28)35-13-18(38-26(35)37)12-34-9-8-30-32-34/h4-11,18,20-21,24H,12-15H2,1-3H3,(H,31,36)/t18-,20-,21+,24?/m0/s1
InChIKeyOCKGPUDBFFANOX-RCGHHBJUSA-N
MW535.58 g/mol
LogP3.46
Rot. Bonds6

About tert-butyl N-[(1R,5S)-3-[5-[2-fluoro-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-[5-[2-fluoro-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 58941153) has the molecular formula C27H30FN7O4 and a molecular weight of 535.58 g/mol. Its IUPAC name is tert-butyl N-[(1R,5S)-3-[5-[2-fluoro-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 Nametert-butyl N-[(1R,5S)-3-[5-[2-fluoro-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 CID58941153
Molecular FormulaC27H30FN7O4
Molecular Weight535.58 g/mol
Exact Mass535.23
IUPAC Nametert-butyl N-[(1R,5S)-3-[5-[2-fluoro-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
SMILESCC(C)(C)OC(=O)NC1[C@H]2CN(c3ccc(-c4ccc(N5C[C@H](Cn6ccnn6)OC5=O)cc4F)cn3)C[C@@H]12
InChIInChI=1S/C27H30FN7O4/c1-27(2,3)39-25(36)31-24-20-14-33(15-21(20)24)23-7-4-16(11-29-23)19-6-5-17(10-22(19)28)35-13-18(38-26(35)37)12-34-9-8-30-32-34/h4-11,18,20-21,24H,12-15H2,1-3H3,(H,31,36)/t18-,20-,21+,24?/m0/s1
InChIKeyOCKGPUDBFFANOX-RCGHHBJUSA-N
XLogP3.46
TPSA114.71 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.58
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze tert-butyl N-[(1R,5S)-3-[5-[2-fluoro-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,5S)-3-[5-[2-fluoro-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-[5-[2-fluoro-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 58941153) is tert-butyl N-[(1R,5S)-3-[5-[2-fluoro-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-[5-[2-fluoro-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-[5-[2-fluoro-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(c3ccc(-c4ccc(N5C[C@H](Cn6ccnn6)OC5=O)cc4F)cn3)C[C@@H]12.
What is the InChIKey of tert-butyl N-[(1R,5S)-3-[5-[2-fluoro-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 OCKGPUDBFFANOX-RCGHHBJUSA-N. The full InChI is InChI=1S/C27H30FN7O4/c1-27(2,3)39-25(36)31-24-20-14-33(15-21(20)24)23-7-4-16(11-29-23)19-6-5-17(10-22(19)28)35-13-18(38-26(35)37)12-34-9-8-30-32-34/h4-11,18,20-21,24H,12-15H2,1-3H3,(H,31,36)/t18-,20-,21+,24?/m0/s1.
What are the key properties of tert-butyl N-[(1R,5S)-3-[5-[2-fluoro-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-[5-[2-fluoro-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-[5-[2-fluoro-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 58941153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).