(5S)-3-[3,5-difluoro-4-[6-(2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-[2-(2H-pyrrol-5-yl)ethyl]-1,3-oxazolidin-2-one

C23H21F2N5O3 — CID 161061197

IUPAC(5S)-3-[3,5-difluoro-4-[6-(2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-[2-(2H-pyrrol-5-yl)ethyl]-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](CCC2=NCC=C2)CN1c1cc(F)c(-c2ccc(N3CCNC3=O)nc2)c(F)c1
InChIInChI=1S/C23H21F2N5O3/c24-18-10-16(30-13-17(33-23(30)32)5-4-15-2-1-7-26-15)11-19(25)21(18)14-3-6-20(28-12-14)29-9-8-27-22(29)31/h1-3,6,10-12,17H,4-5,7-9,13H2,(H,27,31)/t17-/m0/s1
InChIKeyHVYQHQCFFDTHPQ-KRWDZBQOSA-N
MW453.45 g/mol
LogP3.67
Rot. Bonds6

About (5S)-3-[3,5-difluoro-4-[6-(2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-[2-(2H-pyrrol-5-yl)ethyl]-1,3-oxazolidin-2-one

(5S)-3-[3,5-difluoro-4-[6-(2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-[2-(2H-pyrrol-5-yl)ethyl]-1,3-oxazolidin-2-one (PubChem CID 161061197) has the molecular formula C23H21F2N5O3 and a molecular weight of 453.45 g/mol. Its IUPAC name is (5S)-3-[3,5-difluoro-4-[6-(2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-[2-(2H-pyrrol-5-yl)ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-3-[3,5-difluoro-4-[6-(2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-[2-(2H-pyrrol-5-yl)ethyl]-1,3-oxazolidin-2-one
PubChem CID161061197
Molecular FormulaC23H21F2N5O3
Molecular Weight453.45 g/mol
Exact Mass453.16
IUPAC Name(5S)-3-[3,5-difluoro-4-[6-(2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-[2-(2H-pyrrol-5-yl)ethyl]-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](CCC2=NCC=C2)CN1c1cc(F)c(-c2ccc(N3CCNC3=O)nc2)c(F)c1
InChIInChI=1S/C23H21F2N5O3/c24-18-10-16(30-13-17(33-23(30)32)5-4-15-2-1-7-26-15)11-19(25)21(18)14-3-6-20(28-12-14)29-9-8-27-22(29)31/h1-3,6,10-12,17H,4-5,7-9,13H2,(H,27,31)/t17-/m0/s1
InChIKeyHVYQHQCFFDTHPQ-KRWDZBQOSA-N
XLogP3.67
TPSA87.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5S)-3-[3,5-difluoro-4-[6-(2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-[2-(2H-pyrrol-5-yl)ethyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(5S)-3-[3,5-difluoro-4-[6-(2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-[(1,2-oxazol-3-ylamino)methyl]-1,3-oxazolidin-2-one
CID 56928930
[(5R)-3-[3,5-difluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate
CID 56928621
(5S)-3-[2,3-difluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-5-[2-(2H-pyrrol-5-yl)ethyl]-1,3-oxazolidin-2-one
CID 158892480
N-[[(5S)-3-[3,5-difluoro-4-[6-(4-formylimidazol-1-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11676569
N-[[(5S)-3-[3,5-difluoro-4-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11683070
1-(5-bromo-2-pyridinyl)imidazolidin-2-one;1-(5-bromo-2-pyridinyl)-3-methylimidazolidin-2-one;(5R)-3-[3-fluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 158645266
3-(3,5-difluoro-4-pyridin-4-ylphenyl)-5-(iodomethyl)-1,3-oxazolidin-2-one
CID 10432033
N-[[(5S)-3-[3,5-difluoro-4-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 11510243
[(5R)-3-[3-fluoro-4-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate
CID 56928410
3-[3-fluoro-4-[6-(triazol-1-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 72752230
(1R,5S)-6-[5-[2,6-difluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3,3-dioxo-3λ6-thiabicyclo[3.1.0]hexane-6-carbonitrile
CID 11443650
N-[(5S)-3-[3-fluoro-4-(6-piperazin-1-yl-3-pyridinyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide
CID 67550647

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[3,5-difluoro-4-[6-(2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-[2-(2H-pyrrol-5-yl)ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-3-[3,5-difluoro-4-[6-(2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-[2-(2H-pyrrol-5-yl)ethyl]-1,3-oxazolidin-2-one (CID 161061197) is (5S)-3-[3,5-difluoro-4-[6-(2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-[2-(2H-pyrrol-5-yl)ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-3-[3,5-difluoro-4-[6-(2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-[2-(2H-pyrrol-5-yl)ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-3-[3,5-difluoro-4-[6-(2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-[2-(2H-pyrrol-5-yl)ethyl]-1,3-oxazolidin-2-one is O=C1O[C@@H](CCC2=NCC=C2)CN1c1cc(F)c(-c2ccc(N3CCNC3=O)nc2)c(F)c1.
What is the InChIKey of (5S)-3-[3,5-difluoro-4-[6-(2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-[2-(2H-pyrrol-5-yl)ethyl]-1,3-oxazolidin-2-one?
The InChIKey is HVYQHQCFFDTHPQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H21F2N5O3/c24-18-10-16(30-13-17(33-23(30)32)5-4-15-2-1-7-26-15)11-19(25)21(18)14-3-6-20(28-12-14)29-9-8-27-22(29)31/h1-3,6,10-12,17H,4-5,7-9,13H2,(H,27,31)/t17-/m0/s1.
What are the key properties of (5S)-3-[3,5-difluoro-4-[6-(2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-[2-(2H-pyrrol-5-yl)ethyl]-1,3-oxazolidin-2-one?
(5S)-3-[3,5-difluoro-4-[6-(2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-[2-(2H-pyrrol-5-yl)ethyl]-1,3-oxazolidin-2-one has a molecular weight of 453.45 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[3,5-difluoro-4-[6-(2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-[2-(2H-pyrrol-5-yl)ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 161061197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).