(4R)-3-[3-fluoro-4-[1-[3-hydroxy-2-(hydroxymethyl)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-4-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one

C22H24FN3O7 — CID 139916144

IUPAC(4R)-3-[3-fluoro-4-[1-[3-hydroxy-2-(hydroxymethyl)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-4-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
SMILESO=C(C(CO)CO)N1CC=C(c2ccc(N3C(=O)OC[C@H]3COc3ccon3)cc2F)CC1
InChIInChI=1S/C22H24FN3O7/c23-19-9-16(26-17(13-32-22(26)30)12-31-20-5-8-33-24-20)1-2-18(19)14-3-6-25(7-4-14)21(29)15(10-27)11-28/h1-3,5,8-9,15,17,27-28H,4,6-7,10-13H2/t17-/m1/s1
InChIKeyUTXSGLYDFZDHJX-QGZVFWFLSA-N
MW461.45 g/mol
LogP1.43
Rot. Bonds8

About (4R)-3-[3-fluoro-4-[1-[3-hydroxy-2-(hydroxymethyl)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-4-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one

(4R)-3-[3-fluoro-4-[1-[3-hydroxy-2-(hydroxymethyl)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-4-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one (PubChem CID 139916144) has the molecular formula C22H24FN3O7 and a molecular weight of 461.45 g/mol. Its IUPAC name is (4R)-3-[3-fluoro-4-[1-[3-hydroxy-2-(hydroxymethyl)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-4-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[3-fluoro-4-[1-[3-hydroxy-2-(hydroxymethyl)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-4-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
PubChem CID139916144
Molecular FormulaC22H24FN3O7
Molecular Weight461.45 g/mol
Exact Mass461.16
IUPAC Name(4R)-3-[3-fluoro-4-[1-[3-hydroxy-2-(hydroxymethyl)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-4-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
SMILESO=C(C(CO)CO)N1CC=C(c2ccc(N3C(=O)OC[C@H]3COc3ccon3)cc2F)CC1
InChIInChI=1S/C22H24FN3O7/c23-19-9-16(26-17(13-32-22(26)30)12-31-20-5-8-33-24-20)1-2-18(19)14-3-6-25(7-4-14)21(29)15(10-27)11-28/h1-3,5,8-9,15,17,27-28H,4,6-7,10-13H2/t17-/m1/s1
InChIKeyUTXSGLYDFZDHJX-QGZVFWFLSA-N
XLogP1.43
TPSA125.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.45
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[3-fluoro-4-[1-[3-hydroxy-2-(hydroxymethyl)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-4-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[3-fluoro-4-[1-[3-hydroxy-2-(hydroxymethyl)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-4-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one (CID 139916144) is (4R)-3-[3-fluoro-4-[1-[3-hydroxy-2-(hydroxymethyl)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-4-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[3-fluoro-4-[1-[3-hydroxy-2-(hydroxymethyl)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-4-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[3-fluoro-4-[1-[3-hydroxy-2-(hydroxymethyl)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-4-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one is O=C(C(CO)CO)N1CC=C(c2ccc(N3C(=O)OC[C@H]3COc3ccon3)cc2F)CC1.
What is the InChIKey of (4R)-3-[3-fluoro-4-[1-[3-hydroxy-2-(hydroxymethyl)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-4-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is UTXSGLYDFZDHJX-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H24FN3O7/c23-19-9-16(26-17(13-32-22(26)30)12-31-20-5-8-33-24-20)1-2-18(19)14-3-6-25(7-4-14)21(29)15(10-27)11-28/h1-3,5,8-9,15,17,27-28H,4,6-7,10-13H2/t17-/m1/s1.
What are the key properties of (4R)-3-[3-fluoro-4-[1-[3-hydroxy-2-(hydroxymethyl)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-4-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one?
(4R)-3-[3-fluoro-4-[1-[3-hydroxy-2-(hydroxymethyl)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-4-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 461.45 g/mol, XLogP of 1.43, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[3-fluoro-4-[1-[3-hydroxy-2-(hydroxymethyl)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-4-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 139916144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).