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

C18H15F2N3O5 — CID 25184607

IUPAC(5R)-3-[2,3-difluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1C=CN(c2ccc(N3C[C@H](COc4ccon4)OC3=O)c(F)c2F)CC1
InChIInChI=1S/C18H15F2N3O5/c19-16-13(22-6-3-11(24)4-7-22)1-2-14(17(16)20)23-9-12(28-18(23)25)10-26-15-5-8-27-21-15/h1-3,5-6,8,12H,4,7,9-10H2/t12-/m1/s1
InChIKeyVOYUFCWZRAACFB-GFCCVEGCSA-N
MW391.33 g/mol
LogP2.65
Rot. Bonds5

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

(5R)-3-[2,3-difluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one (PubChem CID 25184607) has the molecular formula C18H15F2N3O5 and a molecular weight of 391.33 g/mol. Its IUPAC name is (5R)-3-[2,3-difluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[2,3-difluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
PubChem CID25184607
Molecular FormulaC18H15F2N3O5
Molecular Weight391.33 g/mol
Exact Mass391.10
IUPAC Name(5R)-3-[2,3-difluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1C=CN(c2ccc(N3C[C@H](COc4ccon4)OC3=O)c(F)c2F)CC1
InChIInChI=1S/C18H15F2N3O5/c19-16-13(22-6-3-11(24)4-7-22)1-2-14(17(16)20)23-9-12(28-18(23)25)10-26-15-5-8-27-21-15/h1-3,5-6,8,12H,4,7,9-10H2/t12-/m1/s1
InChIKeyVOYUFCWZRAACFB-GFCCVEGCSA-N
XLogP2.65
TPSA85.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.33
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[2,3-difluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[2,3-difluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one (CID 25184607) is (5R)-3-[2,3-difluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[2,3-difluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[2,3-difluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one is O=C1C=CN(c2ccc(N3C[C@H](COc4ccon4)OC3=O)c(F)c2F)CC1.
What is the InChIKey of (5R)-3-[2,3-difluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is VOYUFCWZRAACFB-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H15F2N3O5/c19-16-13(22-6-3-11(24)4-7-22)1-2-14(17(16)20)23-9-12(28-18(23)25)10-26-15-5-8-27-21-15/h1-3,5-6,8,12H,4,7,9-10H2/t12-/m1/s1.
What are the key properties of (5R)-3-[2,3-difluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one?
(5R)-3-[2,3-difluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 391.33 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[2,3-difluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 25184607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).