(4R)-3-[4-[1-(2,2-dimethyl-1,3-dioxan-5-yl)-3,6-dihydro-2H-pyridin-4-yl]-3-fluorophenyl]-4-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one

C24H28FN3O6 — CID 139916150

IUPAC(4R)-3-[4-[1-(2,2-dimethyl-1,3-dioxan-5-yl)-3,6-dihydro-2H-pyridin-4-yl]-3-fluorophenyl]-4-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
SMILESCC1(C)OCC(N2CC=C(c3ccc(N4C(=O)OC[C@H]4COc4ccon4)cc3F)CC2)CO1
InChIInChI=1S/C24H28FN3O6/c1-24(2)32-14-18(15-33-24)27-8-5-16(6-9-27)20-4-3-17(11-21(20)25)28-19(13-31-23(28)29)12-30-22-7-10-34-26-22/h3-5,7,10-11,18-19H,6,8-9,12-15H2,1-2H3/t19-/m1/s1
InChIKeyWQDQTICIXNCBTB-LJQANCHMSA-N
MW473.50 g/mol
LogP3.46
Rot. Bonds6

About (4R)-3-[4-[1-(2,2-dimethyl-1,3-dioxan-5-yl)-3,6-dihydro-2H-pyridin-4-yl]-3-fluorophenyl]-4-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one

(4R)-3-[4-[1-(2,2-dimethyl-1,3-dioxan-5-yl)-3,6-dihydro-2H-pyridin-4-yl]-3-fluorophenyl]-4-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one (PubChem CID 139916150) has the molecular formula C24H28FN3O6 and a molecular weight of 473.50 g/mol. Its IUPAC name is (4R)-3-[4-[1-(2,2-dimethyl-1,3-dioxan-5-yl)-3,6-dihydro-2H-pyridin-4-yl]-3-fluorophenyl]-4-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[4-[1-(2,2-dimethyl-1,3-dioxan-5-yl)-3,6-dihydro-2H-pyridin-4-yl]-3-fluorophenyl]-4-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
PubChem CID139916150
Molecular FormulaC24H28FN3O6
Molecular Weight473.50 g/mol
Exact Mass473.20
IUPAC Name(4R)-3-[4-[1-(2,2-dimethyl-1,3-dioxan-5-yl)-3,6-dihydro-2H-pyridin-4-yl]-3-fluorophenyl]-4-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
SMILESCC1(C)OCC(N2CC=C(c3ccc(N4C(=O)OC[C@H]4COc4ccon4)cc3F)CC2)CO1
InChIInChI=1S/C24H28FN3O6/c1-24(2)32-14-18(15-33-24)27-8-5-16(6-9-27)20-4-3-17(11-21(20)25)28-19(13-31-23(28)29)12-30-22-7-10-34-26-22/h3-5,7,10-11,18-19H,6,8-9,12-15H2,1-2H3/t19-/m1/s1
InChIKeyWQDQTICIXNCBTB-LJQANCHMSA-N
XLogP3.46
TPSA86.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.50
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (4R)-3-[4-[1-(2,2-dimethyl-1,3-dioxan-5-yl)-3,6-dihydro-2H-pyridin-4-yl]-3-fluorophenyl]-4-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(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
(5R)-3-[4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-3-fluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
CID 21356664
3-[3,5-difluoro-4-(1,2,3,4-tetrahydropyridin-4-yl)phenyl]-4-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
CID 70141442
(5R)-3-[4-[1-[(2S)-2,3-dihydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-3-fluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
CID 21356643
4-[4-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-3-hydroxy-N-methyl-4-oxobutanamide
CID 142648239
2-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1H-imidazole-5-carbonitrile
CID 70209131
(5R)-3-[3,5-difluoro-4-[1-[2-hydroxy-3-(2-hydroxypyrrolidin-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
CID 142648242
(5R)-3-(3-fluoro-4-iodophenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
CID 11859040
3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
CID 22996047
6-[4-[2-fluoro-4-[(4R)-2-oxo-4-(pyrazin-2-yloxymethyl)-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 70205193
(5R)-3-[4-[(3S)-3-aminopyrrolidin-1-yl]-3-fluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
CID 57195364
(5R)-3-(4-methylsulfonylphenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
CID 21356674

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[4-[1-(2,2-dimethyl-1,3-dioxan-5-yl)-3,6-dihydro-2H-pyridin-4-yl]-3-fluorophenyl]-4-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[4-[1-(2,2-dimethyl-1,3-dioxan-5-yl)-3,6-dihydro-2H-pyridin-4-yl]-3-fluorophenyl]-4-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one (CID 139916150) is (4R)-3-[4-[1-(2,2-dimethyl-1,3-dioxan-5-yl)-3,6-dihydro-2H-pyridin-4-yl]-3-fluorophenyl]-4-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[4-[1-(2,2-dimethyl-1,3-dioxan-5-yl)-3,6-dihydro-2H-pyridin-4-yl]-3-fluorophenyl]-4-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[4-[1-(2,2-dimethyl-1,3-dioxan-5-yl)-3,6-dihydro-2H-pyridin-4-yl]-3-fluorophenyl]-4-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one is CC1(C)OCC(N2CC=C(c3ccc(N4C(=O)OC[C@H]4COc4ccon4)cc3F)CC2)CO1.
What is the InChIKey of (4R)-3-[4-[1-(2,2-dimethyl-1,3-dioxan-5-yl)-3,6-dihydro-2H-pyridin-4-yl]-3-fluorophenyl]-4-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is WQDQTICIXNCBTB-LJQANCHMSA-N. The full InChI is InChI=1S/C24H28FN3O6/c1-24(2)32-14-18(15-33-24)27-8-5-16(6-9-27)20-4-3-17(11-21(20)25)28-19(13-31-23(28)29)12-30-22-7-10-34-26-22/h3-5,7,10-11,18-19H,6,8-9,12-15H2,1-2H3/t19-/m1/s1.
What are the key properties of (4R)-3-[4-[1-(2,2-dimethyl-1,3-dioxan-5-yl)-3,6-dihydro-2H-pyridin-4-yl]-3-fluorophenyl]-4-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one?
(4R)-3-[4-[1-(2,2-dimethyl-1,3-dioxan-5-yl)-3,6-dihydro-2H-pyridin-4-yl]-3-fluorophenyl]-4-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 473.50 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[4-[1-(2,2-dimethyl-1,3-dioxan-5-yl)-3,6-dihydro-2H-pyridin-4-yl]-3-fluorophenyl]-4-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 139916150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).