(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

C20H19F2N3O3 — CID 158892480

IUPAC(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
SMILESO=C1C=CN(c2ccc(N3C[C@H](CCC4=NCC=C4)OC3=O)c(F)c2F)CC1
InChIInChI=1S/C20H19F2N3O3/c21-18-16(24-10-7-14(26)8-11-24)5-6-17(19(18)22)25-12-15(28-20(25)27)4-3-13-2-1-9-23-13/h1-2,5-7,10,15H,3-4,8-9,11-12H2/t15-/m0/s1
InChIKeyJEKIOODPASXTDQ-HNNXBMFYSA-N
MW387.39 g/mol
LogP3.37
Rot. Bonds5

About (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

(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 (PubChem CID 158892480) has the molecular formula C20H19F2N3O3 and a molecular weight of 387.39 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID158892480
Molecular FormulaC20H19F2N3O3
Molecular Weight387.39 g/mol
Exact Mass387.14
IUPAC Name(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
SMILESO=C1C=CN(c2ccc(N3C[C@H](CCC4=NCC=C4)OC3=O)c(F)c2F)CC1
InChIInChI=1S/C20H19F2N3O3/c21-18-16(24-10-7-14(26)8-11-24)5-6-17(19(18)22)25-12-15(28-20(25)27)4-3-13-2-1-9-23-13/h1-2,5-7,10,15H,3-4,8-9,11-12H2/t15-/m0/s1
InChIKeyJEKIOODPASXTDQ-HNNXBMFYSA-N
XLogP3.37
TPSA62.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2,5-difluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 70866084
(5R)-5-(nitrosomethyl)-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 118336136
(5S)-3-[3-fluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-5-[(methylideneamino)methyl]-1,3-oxazolidin-2-one
CID 163506167
(5R)-5-(azidomethyl)-3-[3-fluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 58697735
(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
tert-butyl N-[[(5S)-3-[2,3-difluoro-4-(4-methylidene-2,3-dihydropyridin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 143760543
N-[[(5S)-3-[2,5-difluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 25184391
N-[[(5S)-3-[3-fluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58697749
methyl N'-[[2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]carbamimidate
CID 163756480
2,2-difluoro-N-[[(5S)-3-[3-fluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58697756
methylcarbamoyloxy-N-(1,2-oxazol-3-yl)-N-[[2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid
CID 123679482
3-oxo-N'-[[2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]butanimidamide
CID 91425986

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is O=C1C=CN(c2ccc(N3C[C@H](CCC4=NCC=C4)OC3=O)c(F)c2F)CC1.
What is the InChIKey of (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?
The InChIKey is JEKIOODPASXTDQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H19F2N3O3/c21-18-16(24-10-7-14(26)8-11-24)5-6-17(19(18)22)25-12-15(28-20(25)27)4-3-13-2-1-9-23-13/h1-2,5-7,10,15H,3-4,8-9,11-12H2/t15-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 387.39 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 158892480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).