2-[[(5R)-3-[3,5-difluoro-4-[1-[(2S)-2-hydroxybutanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazol-3-one

C22H23F2N3O6 — CID 58746160

IUPAC2-[[(5R)-3-[3,5-difluoro-4-[1-[(2S)-2-hydroxybutanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazol-3-one
SMILESCC[C@H](O)C(=O)N1CC=C(c2c(F)cc(N3C[C@H](Cn4occc4=O)OC3=O)cc2F)CC1
InChIInChI=1S/C22H23F2N3O6/c1-2-18(28)21(30)25-6-3-13(4-7-25)20-16(23)9-14(10-17(20)24)26-11-15(33-22(26)31)12-27-19(29)5-8-32-27/h3,5,8-10,15,18,28H,2,4,6-7,11-12H2,1H3/t15-,18+/m1/s1
InChIKeyZWFURRUHARIVSJ-QAPCUYQASA-N
MW463.44 g/mol
LogP2.13
Rot. Bonds6

About 2-[[(5R)-3-[3,5-difluoro-4-[1-[(2S)-2-hydroxybutanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazol-3-one

2-[[(5R)-3-[3,5-difluoro-4-[1-[(2S)-2-hydroxybutanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazol-3-one (PubChem CID 58746160) has the molecular formula C22H23F2N3O6 and a molecular weight of 463.44 g/mol. Its IUPAC name is 2-[[(5R)-3-[3,5-difluoro-4-[1-[(2S)-2-hydroxybutanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazol-3-one.

Molecular Properties

Compound Name2-[[(5R)-3-[3,5-difluoro-4-[1-[(2S)-2-hydroxybutanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazol-3-one
PubChem CID58746160
Molecular FormulaC22H23F2N3O6
Molecular Weight463.44 g/mol
Exact Mass463.16
IUPAC Name2-[[(5R)-3-[3,5-difluoro-4-[1-[(2S)-2-hydroxybutanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazol-3-one
SMILESCC[C@H](O)C(=O)N1CC=C(c2c(F)cc(N3C[C@H](Cn4occc4=O)OC3=O)cc2F)CC1
InChIInChI=1S/C22H23F2N3O6/c1-2-18(28)21(30)25-6-3-13(4-7-25)20-16(23)9-14(10-17(20)24)26-11-15(33-22(26)31)12-27-19(29)5-8-32-27/h3,5,8-10,15,18,28H,2,4,6-7,11-12H2,1H3/t15-,18+/m1/s1
InChIKeyZWFURRUHARIVSJ-QAPCUYQASA-N
XLogP2.13
TPSA105.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.44
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[(5R)-3-[3,5-difluoro-4-[1-[(2S)-2-hydroxybutanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazol-3-one with MolForge

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Launch Full Analysis

Related Compounds

3-[4-[1-[(2S)-2,3-dihydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-3,5-difluorophenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 163785175
[(2S)-3-[4-[4-[(5R)-5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxy-3-oxopropyl]phosphonic acid
CID 20813920
(5S)-3-[4-[1-[(2S)-2,3-dihydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-3,5-difluorophenyl]-5-[(pyrazin-2-ylamino)methyl]-1,3-oxazolidin-2-one
CID 20725661
(5R)-3-[3,5-difluoro-4-[1-[2-hydroxy-3-(2-hydroxypyrrolidin-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
CID 142648242
(5R)-3-[3-fluoro-4-[1-[(2R)-2-hydroxy-3-methylsulfanylpropanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 69364702
4-[4-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-3-hydroxy-N-methyl-4-oxobutanamide
CID 142648239
(5R)-3-[4-[1-[(2S)-2,3-dihydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-3-fluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
CID 21356643
[2-[4-[2,6-difluoro-4-[(5S)-2-oxo-5-[(1,2,5-thiadiazol-3-ylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl] acetate
CID 54137782
methyl 2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoacetate
CID 70117574
[2-[4-[4-[(5S)-5-(3-amino-3-oxopropyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl] acetate
CID 70169966
(5S)-3-[4-(4-acetylpiperazin-1-yl)-3,5-difluorophenyl]-5-ethyl-1,3-oxazolidin-2-one
CID 59953051
(5R)-3-[4-[1-[(2S)-2,3-dihydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-2,3,5-trifluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2,3,5-trifluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;(5R)-5-(1,2-oxazol-3-yloxymethyl)-3-[2,3,5-trifluoro-4-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-oxazolidin-2-one
CID 160847336

Frequently Asked Questions

What is the IUPAC name of 2-[[(5R)-3-[3,5-difluoro-4-[1-[(2S)-2-hydroxybutanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazol-3-one?
The IUPAC name of 2-[[(5R)-3-[3,5-difluoro-4-[1-[(2S)-2-hydroxybutanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazol-3-one (CID 58746160) is 2-[[(5R)-3-[3,5-difluoro-4-[1-[(2S)-2-hydroxybutanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazol-3-one.
What is the SMILES notation for 2-[[(5R)-3-[3,5-difluoro-4-[1-[(2S)-2-hydroxybutanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazol-3-one?
The canonical SMILES for 2-[[(5R)-3-[3,5-difluoro-4-[1-[(2S)-2-hydroxybutanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazol-3-one is CC[C@H](O)C(=O)N1CC=C(c2c(F)cc(N3C[C@H](Cn4occc4=O)OC3=O)cc2F)CC1.
What is the InChIKey of 2-[[(5R)-3-[3,5-difluoro-4-[1-[(2S)-2-hydroxybutanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazol-3-one?
The InChIKey is ZWFURRUHARIVSJ-QAPCUYQASA-N. The full InChI is InChI=1S/C22H23F2N3O6/c1-2-18(28)21(30)25-6-3-13(4-7-25)20-16(23)9-14(10-17(20)24)26-11-15(33-22(26)31)12-27-19(29)5-8-32-27/h3,5,8-10,15,18,28H,2,4,6-7,11-12H2,1H3/t15-,18+/m1/s1.
What are the key properties of 2-[[(5R)-3-[3,5-difluoro-4-[1-[(2S)-2-hydroxybutanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazol-3-one?
2-[[(5R)-3-[3,5-difluoro-4-[1-[(2S)-2-hydroxybutanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazol-3-one has a molecular weight of 463.44 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5R)-3-[3,5-difluoro-4-[1-[(2S)-2-hydroxybutanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazol-3-one is sourced from PubChem (CID 58746160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).