3-[2,5-difluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

C15H14F2N2O4 — CID 70866084

IUPAC3-[2,5-difluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1C=CN(c2cc(F)c(N3CC(CO)OC3=O)cc2F)CC1
InChIInChI=1S/C15H14F2N2O4/c16-11-6-14(19-7-10(8-20)23-15(19)22)12(17)5-13(11)18-3-1-9(21)2-4-18/h1,3,5-6,10,20H,2,4,7-8H2
InChIKeyDDIDRAZSAHYVJF-UHFFFAOYSA-N
MW324.28 g/mol
LogP1.58
Rot. Bonds3

About 3-[2,5-difluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

3-[2,5-difluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 70866084) has the molecular formula C15H14F2N2O4 and a molecular weight of 324.28 g/mol. Its IUPAC name is 3-[2,5-difluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2,5-difluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
PubChem CID70866084
Molecular FormulaC15H14F2N2O4
Molecular Weight324.28 g/mol
Exact Mass324.09
IUPAC Name3-[2,5-difluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1C=CN(c2cc(F)c(N3CC(CO)OC3=O)cc2F)CC1
InChIInChI=1S/C15H14F2N2O4/c16-11-6-14(19-7-10(8-20)23-15(19)22)12(17)5-13(11)18-3-1-9(21)2-4-18/h1,3,5-6,10,20H,2,4,7-8H2
InChIKeyDDIDRAZSAHYVJF-UHFFFAOYSA-N
XLogP1.58
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
(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
(3R,3aS)-7-fluoro-3-(hydroxymethyl)-6-(4-oxo-2,3-dihydropyridin-1-yl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one
CID 67969850
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
(5R)-5-(azidomethyl)-3-[3-fluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 58697735
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
3-[3-fluoro-4-(4-oxopiperidin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 68698798
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
(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
3-(4-bromo-2,3-difluorophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 76610876

Frequently Asked Questions

What is the IUPAC name of 3-[2,5-difluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2,5-difluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 70866084) is 3-[2,5-difluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2,5-difluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2,5-difluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one is O=C1C=CN(c2cc(F)c(N3CC(CO)OC3=O)cc2F)CC1.
What is the InChIKey of 3-[2,5-difluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is DDIDRAZSAHYVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O4/c16-11-6-14(19-7-10(8-20)23-15(19)22)12(17)5-13(11)18-3-1-9(21)2-4-18/h1,3,5-6,10,20H,2,4,7-8H2.
What are the key properties of 3-[2,5-difluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
3-[2,5-difluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 324.28 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,5-difluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 70866084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).