tert-butyl 4-[2-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2-oxoethyl]piperidine-1-carboxylate

C29H33FN6O5 — CID 23626926

IUPACtert-butyl 4-[2-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2-oxoethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CC(=O)c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)CC1
InChIInChI=1S/C29H33FN6O5/c1-29(2,3)41-27(38)34-11-8-19(9-12-34)14-26(37)25-7-4-20(16-31-25)23-6-5-21(15-24(23)30)36-18-22(40-28(36)39)17-35-13-10-32-33-35/h4-7,10,13,15-16,19,22H,8-9,11-12,14,17-18H2,1-3H3/t22-/m0/s1
InChIKeyWZBVWBSGTNRKJS-QFIPXVFZSA-N
MW564.62 g/mol
LogP4.72
Rot. Bonds7

About tert-butyl 4-[2-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2-oxoethyl]piperidine-1-carboxylate

tert-butyl 4-[2-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2-oxoethyl]piperidine-1-carboxylate (PubChem CID 23626926) has the molecular formula C29H33FN6O5 and a molecular weight of 564.62 g/mol. Its IUPAC name is tert-butyl 4-[2-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2-oxoethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2-oxoethyl]piperidine-1-carboxylate
PubChem CID23626926
Molecular FormulaC29H33FN6O5
Molecular Weight564.62 g/mol
Exact Mass564.25
IUPAC Nametert-butyl 4-[2-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2-oxoethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CC(=O)c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)CC1
InChIInChI=1S/C29H33FN6O5/c1-29(2,3)41-27(38)34-11-8-19(9-12-34)14-26(37)25-7-4-20(16-31-25)23-6-5-21(15-24(23)30)36-18-22(40-28(36)39)17-35-13-10-32-33-35/h4-7,10,13,15-16,19,22H,8-9,11-12,14,17-18H2,1-3H3/t22-/m0/s1
InChIKeyWZBVWBSGTNRKJS-QFIPXVFZSA-N
XLogP4.72
TPSA119.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.62
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze tert-butyl 4-[2-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2-oxoethyl]piperidine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2-oxoethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2-oxoethyl]piperidine-1-carboxylate (CID 23626926) is tert-butyl 4-[2-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2-oxoethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2-oxoethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2-oxoethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CC(=O)c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)CC1.
What is the InChIKey of tert-butyl 4-[2-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2-oxoethyl]piperidine-1-carboxylate?
The InChIKey is WZBVWBSGTNRKJS-QFIPXVFZSA-N. The full InChI is InChI=1S/C29H33FN6O5/c1-29(2,3)41-27(38)34-11-8-19(9-12-34)14-26(37)25-7-4-20(16-31-25)23-6-5-21(15-24(23)30)36-18-22(40-28(36)39)17-35-13-10-32-33-35/h4-7,10,13,15-16,19,22H,8-9,11-12,14,17-18H2,1-3H3/t22-/m0/s1.
What are the key properties of tert-butyl 4-[2-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2-oxoethyl]piperidine-1-carboxylate?
tert-butyl 4-[2-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2-oxoethyl]piperidine-1-carboxylate has a molecular weight of 564.62 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2-oxoethyl]piperidine-1-carboxylate is sourced from PubChem (CID 23626926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).