N-[[(5S)-3-[3-fluoro-4-[5-(3-pyridin-4-ylpropyl)-2-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C25H25FN4O3 — CID 58045433

IUPACN-[[(5S)-3-[3-fluoro-4-[5-(3-pyridin-4-ylpropyl)-2-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CCCc4ccncc4)cn3)c(F)c2)C(=O)O1
InChIInChI=1S/C25H25FN4O3/c1-17(31)28-15-21-16-30(25(32)33-21)20-6-7-22(23(26)13-20)24-8-5-19(14-29-24)4-2-3-18-9-11-27-12-10-18/h5-14,21H,2-4,15-16H2,1H3,(H,28,31)/t21-/m0/s1
InChIKeyDYDXOZPVPMEGNC-NRFANRHFSA-N
MW448.50 g/mol
LogP3.92
Rot. Bonds8

About N-[[(5S)-3-[3-fluoro-4-[5-(3-pyridin-4-ylpropyl)-2-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3-fluoro-4-[5-(3-pyridin-4-ylpropyl)-2-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 58045433) has the molecular formula C25H25FN4O3 and a molecular weight of 448.50 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[5-(3-pyridin-4-ylpropyl)-2-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-[5-(3-pyridin-4-ylpropyl)-2-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID58045433
Molecular FormulaC25H25FN4O3
Molecular Weight448.50 g/mol
Exact Mass448.19
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[5-(3-pyridin-4-ylpropyl)-2-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CCCc4ccncc4)cn3)c(F)c2)C(=O)O1
InChIInChI=1S/C25H25FN4O3/c1-17(31)28-15-21-16-30(25(32)33-21)20-6-7-22(23(26)13-20)24-8-5-19(14-29-24)4-2-3-18-9-11-27-12-10-18/h5-14,21H,2-4,15-16H2,1H3,(H,28,31)/t21-/m0/s1
InChIKeyDYDXOZPVPMEGNC-NRFANRHFSA-N
XLogP3.92
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(5S)-3-[3-fluoro-4-[4-(2-pyridin-4-ylethylsulfonyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58045555
N-[[3-(3-fluoro-4-pyridin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10381901
N-[[(5S)-3-[3-fluoro-4-[4-(3-pyridin-4-ylpropanoyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58045463
N-[[(5S)-3-[3-fluoro-4-[4-[3-[5-(hydroxymethyl)furan-2-yl]propyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58045621
N-[[(5S)-3-[3-fluoro-4-[4-[3-(2H-tetrazol-5-yl)propyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58045423
N-[[(5S)-3-[3-fluoro-4-[4-(4-pyridin-2-ylbutyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58045416
N-[[(5S)-3-[3-fluoro-4-[4-[5-(2H-triazol-4-yl)pentyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58045452
N-[[3-[4-[5-[(diaminomethylidenehydrazinylidene)methyl]-2-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 175394522
N-[[(5S)-3-[4-[5-[(carbamoylhydrazinylidene)methyl]-2-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 167435308
N-[[(5S)-3-[3-fluoro-4-[4-(3-pyridin-4-ylpropanimidoyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58045641
N-[[(5S)-3-[4-[4-(3-cyclopenta-1,3-dien-1-ylpropyl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58045453
N-[[(5S)-3-[4-[4-[3-(3-bromo-1,2-oxazol-5-yl)propyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58045619

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[5-(3-pyridin-4-ylpropyl)-2-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[5-(3-pyridin-4-ylpropyl)-2-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 58045433) is N-[[(5S)-3-[3-fluoro-4-[5-(3-pyridin-4-ylpropyl)-2-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[5-(3-pyridin-4-ylpropyl)-2-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[5-(3-pyridin-4-ylpropyl)-2-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CCCc4ccncc4)cn3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[5-(3-pyridin-4-ylpropyl)-2-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is DYDXOZPVPMEGNC-NRFANRHFSA-N. The full InChI is InChI=1S/C25H25FN4O3/c1-17(31)28-15-21-16-30(25(32)33-21)20-6-7-22(23(26)13-20)24-8-5-19(14-29-24)4-2-3-18-9-11-27-12-10-18/h5-14,21H,2-4,15-16H2,1H3,(H,28,31)/t21-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[5-(3-pyridin-4-ylpropyl)-2-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[5-(3-pyridin-4-ylpropyl)-2-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 448.50 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-[5-(3-pyridin-4-ylpropyl)-2-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 58045433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).