(5R)-3-[3,5-difluoro-4-[1-[3-hydroxy-2-(hydroxymethyl)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one

C22H23F2N3O7 — CID 21356657

IUPAC(5R)-3-[3,5-difluoro-4-[1-[3-hydroxy-2-(hydroxymethyl)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
SMILESO=C(C(CO)CO)N1CC=C(c2c(F)cc(N3C[C@H](COc4ccon4)OC3=O)cc2F)CC1
InChIInChI=1S/C22H23F2N3O7/c23-17-7-15(27-9-16(34-22(27)31)12-32-19-3-6-33-25-19)8-18(24)20(17)13-1-4-26(5-2-13)21(30)14(10-28)11-29/h1,3,6-8,14,16,28-29H,2,4-5,9-12H2/t16-/m1/s1
InChIKeyYKSBOHBCHWGLCS-MRXNPFEDSA-N
MW479.44 g/mol
LogP1.57
Rot. Bonds8

About (5R)-3-[3,5-difluoro-4-[1-[3-hydroxy-2-(hydroxymethyl)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one

(5R)-3-[3,5-difluoro-4-[1-[3-hydroxy-2-(hydroxymethyl)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one (PubChem CID 21356657) has the molecular formula C22H23F2N3O7 and a molecular weight of 479.44 g/mol. Its IUPAC name is (5R)-3-[3,5-difluoro-4-[1-[3-hydroxy-2-(hydroxymethyl)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[3,5-difluoro-4-[1-[3-hydroxy-2-(hydroxymethyl)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
PubChem CID21356657
Molecular FormulaC22H23F2N3O7
Molecular Weight479.44 g/mol
Exact Mass479.15
IUPAC Name(5R)-3-[3,5-difluoro-4-[1-[3-hydroxy-2-(hydroxymethyl)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
SMILESO=C(C(CO)CO)N1CC=C(c2c(F)cc(N3C[C@H](COc4ccon4)OC3=O)cc2F)CC1
InChIInChI=1S/C22H23F2N3O7/c23-17-7-15(27-9-16(34-22(27)31)12-32-19-3-6-33-25-19)8-18(24)20(17)13-1-4-26(5-2-13)21(30)14(10-28)11-29/h1,3,6-8,14,16,28-29H,2,4-5,9-12H2/t16-/m1/s1
InChIKeyYKSBOHBCHWGLCS-MRXNPFEDSA-N
XLogP1.57
TPSA125.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.44
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (5R)-3-[3,5-difluoro-4-[1-[3-hydroxy-2-(hydroxymethyl)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[3,5-difluoro-4-[1-[3-hydroxy-2-(hydroxymethyl)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[3,5-difluoro-4-[1-[3-hydroxy-2-(hydroxymethyl)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one (CID 21356657) is (5R)-3-[3,5-difluoro-4-[1-[3-hydroxy-2-(hydroxymethyl)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[3,5-difluoro-4-[1-[3-hydroxy-2-(hydroxymethyl)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[3,5-difluoro-4-[1-[3-hydroxy-2-(hydroxymethyl)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one is O=C(C(CO)CO)N1CC=C(c2c(F)cc(N3C[C@H](COc4ccon4)OC3=O)cc2F)CC1.
What is the InChIKey of (5R)-3-[3,5-difluoro-4-[1-[3-hydroxy-2-(hydroxymethyl)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is YKSBOHBCHWGLCS-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H23F2N3O7/c23-17-7-15(27-9-16(34-22(27)31)12-32-19-3-6-33-25-19)8-18(24)20(17)13-1-4-26(5-2-13)21(30)14(10-28)11-29/h1,3,6-8,14,16,28-29H,2,4-5,9-12H2/t16-/m1/s1.
What are the key properties of (5R)-3-[3,5-difluoro-4-[1-[3-hydroxy-2-(hydroxymethyl)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one?
(5R)-3-[3,5-difluoro-4-[1-[3-hydroxy-2-(hydroxymethyl)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 479.44 g/mol, XLogP of 1.57, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[3,5-difluoro-4-[1-[3-hydroxy-2-(hydroxymethyl)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 21356657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).