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

C19H19F2N3O4 — CID 21356666

IUPAC(5R)-3-[3,5-difluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
SMILESCN1CC=C(c2c(F)cc(N3C[C@H](COc4ccon4)OC3=O)cc2F)CC1
InChIInChI=1S/C19H19F2N3O4/c1-23-5-2-12(3-6-23)18-15(20)8-13(9-16(18)21)24-10-14(28-19(24)25)11-26-17-4-7-27-22-17/h2,4,7-9,14H,3,5-6,10-11H2,1H3/t14-/m1/s1
InChIKeyLBEILEIHUXTGHJ-CQSZACIVSA-N
MW391.37 g/mol
LogP3.08
Rot. Bonds5

About (5R)-3-[3,5-difluoro-4-(1-methyl-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-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one (PubChem CID 21356666) has the molecular formula C19H19F2N3O4 and a molecular weight of 391.37 g/mol. Its IUPAC name is (5R)-3-[3,5-difluoro-4-(1-methyl-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-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
PubChem CID21356666
Molecular FormulaC19H19F2N3O4
Molecular Weight391.37 g/mol
Exact Mass391.13
IUPAC Name(5R)-3-[3,5-difluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
SMILESCN1CC=C(c2c(F)cc(N3C[C@H](COc4ccon4)OC3=O)cc2F)CC1
InChIInChI=1S/C19H19F2N3O4/c1-23-5-2-12(3-6-23)18-15(20)8-13(9-16(18)21)24-10-14(28-19(24)25)11-26-17-4-7-27-22-17/h2,4,7-9,14H,3,5-6,10-11H2,1H3/t14-/m1/s1
InChIKeyLBEILEIHUXTGHJ-CQSZACIVSA-N
XLogP3.08
TPSA68.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.37
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5R)-3-[3,5-difluoro-4-(1-methyl-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-methyl-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-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one (CID 21356666) is (5R)-3-[3,5-difluoro-4-(1-methyl-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-methyl-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-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one is CN1CC=C(c2c(F)cc(N3C[C@H](COc4ccon4)OC3=O)cc2F)CC1.
What is the InChIKey of (5R)-3-[3,5-difluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is LBEILEIHUXTGHJ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H19F2N3O4/c1-23-5-2-12(3-6-23)18-15(20)8-13(9-16(18)21)24-10-14(28-19(24)25)11-26-17-4-7-27-22-17/h2,4,7-9,14H,3,5-6,10-11H2,1H3/t14-/m1/s1.
What are the key properties of (5R)-3-[3,5-difluoro-4-(1-methyl-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-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 391.37 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[3,5-difluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 21356666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).