2-[2-[[4-[(5R)-3-(4-fluorophenyl)-5-methyl-2-oxo-1,3-oxazolidin-5-yl]piperidin-1-yl]methyl]phenoxy]acetic acid

C24H27FN2O5 — CID 124964056

IUPAC2-[2-[[4-[(5R)-3-(4-fluorophenyl)-5-methyl-2-oxo-1,3-oxazolidin-5-yl]piperidin-1-yl]methyl]phenoxy]acetic acid
SMILESC[C@@]1(C2CCN(Cc3ccccc3OCC(=O)O)CC2)CN(c2ccc(F)cc2)C(=O)O1
InChIInChI=1S/C24H27FN2O5/c1-24(16-27(23(30)32-24)20-8-6-19(25)7-9-20)18-10-12-26(13-11-18)14-17-4-2-3-5-21(17)31-15-22(28)29/h2-9,18H,10-16H2,1H3,(H,28,29)/t24-/m0/s1
InChIKeyHUTUCCMCAGSDMH-DEOSSOPVSA-N
MW442.49 g/mol
LogP3.92
Rot. Bonds7

About 2-[2-[[4-[(5R)-3-(4-fluorophenyl)-5-methyl-2-oxo-1,3-oxazolidin-5-yl]piperidin-1-yl]methyl]phenoxy]acetic acid

2-[2-[[4-[(5R)-3-(4-fluorophenyl)-5-methyl-2-oxo-1,3-oxazolidin-5-yl]piperidin-1-yl]methyl]phenoxy]acetic acid (PubChem CID 124964056) has the molecular formula C24H27FN2O5 and a molecular weight of 442.49 g/mol. Its IUPAC name is 2-[2-[[4-[(5R)-3-(4-fluorophenyl)-5-methyl-2-oxo-1,3-oxazolidin-5-yl]piperidin-1-yl]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[4-[(5R)-3-(4-fluorophenyl)-5-methyl-2-oxo-1,3-oxazolidin-5-yl]piperidin-1-yl]methyl]phenoxy]acetic acid
PubChem CID124964056
Molecular FormulaC24H27FN2O5
Molecular Weight442.49 g/mol
Exact Mass442.19
IUPAC Name2-[2-[[4-[(5R)-3-(4-fluorophenyl)-5-methyl-2-oxo-1,3-oxazolidin-5-yl]piperidin-1-yl]methyl]phenoxy]acetic acid
SMILESC[C@@]1(C2CCN(Cc3ccccc3OCC(=O)O)CC2)CN(c2ccc(F)cc2)C(=O)O1
InChIInChI=1S/C24H27FN2O5/c1-24(16-27(23(30)32-24)20-8-6-19(25)7-9-20)18-10-12-26(13-11-18)14-17-4-2-3-5-21(17)31-15-22(28)29/h2-9,18H,10-16H2,1H3,(H,28,29)/t24-/m0/s1
InChIKeyHUTUCCMCAGSDMH-DEOSSOPVSA-N
XLogP3.92
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-[[4-[(5R)-3-(4-fluorophenyl)-5-methyl-2-oxo-1,3-oxazolidin-5-yl]piperidin-1-yl]methyl]phenoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S)-3-(4-fluorophenyl)-5-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one
CID 124980380
2-[2-[[(4aS,9aS)-3-oxo-4a,5,6,8,9,9a-hexahydro-4H-[1,4]oxazino[2,3-d]azepin-7-yl]methyl]phenoxy]acetic acid
CID 110127105
2-[2-[[3-(2-fluorophenyl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 56915846
2-[2-[[(4R)-4-phenylazepan-1-yl]methyl]phenoxy]acetic acid
CID 99946154
2-[2-[[4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidin-1-yl]methyl]phenoxy]acetic acid
CID 138386833
2-[2-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]phenoxy]acetic acid
CID 77088349
2-[2-[[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methyl]phenoxy]acetic acid
CID 70762122
2-[2-[(2-methyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)methyl]phenoxy]acetic acid
CID 70706893
(4aR,8aS)-6-[[2-(carboxymethoxy)phenyl]methyl]-1,2,3,4,5,7,8,8a-octahydro-1,6-naphthyridine-4a-carboxylic acid
CID 133114981
2-[2-[[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 77089620
2-[3-[4-[(5R)-3-benzyl-5-methyl-2-oxo-1,3-oxazolidin-5-yl]piperidine-1-carbonyl]phenoxy]acetic acid
CID 125009330
2-[2-[4-[(2R)-4-benzyl-2-methyl-5-oxomorpholin-2-yl]piperidine-1-carbonyl]phenoxy]acetic acid
CID 124973649

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-[(5R)-3-(4-fluorophenyl)-5-methyl-2-oxo-1,3-oxazolidin-5-yl]piperidin-1-yl]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-[[4-[(5R)-3-(4-fluorophenyl)-5-methyl-2-oxo-1,3-oxazolidin-5-yl]piperidin-1-yl]methyl]phenoxy]acetic acid (CID 124964056) is 2-[2-[[4-[(5R)-3-(4-fluorophenyl)-5-methyl-2-oxo-1,3-oxazolidin-5-yl]piperidin-1-yl]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[[4-[(5R)-3-(4-fluorophenyl)-5-methyl-2-oxo-1,3-oxazolidin-5-yl]piperidin-1-yl]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[[4-[(5R)-3-(4-fluorophenyl)-5-methyl-2-oxo-1,3-oxazolidin-5-yl]piperidin-1-yl]methyl]phenoxy]acetic acid is C[C@@]1(C2CCN(Cc3ccccc3OCC(=O)O)CC2)CN(c2ccc(F)cc2)C(=O)O1.
What is the InChIKey of 2-[2-[[4-[(5R)-3-(4-fluorophenyl)-5-methyl-2-oxo-1,3-oxazolidin-5-yl]piperidin-1-yl]methyl]phenoxy]acetic acid?
The InChIKey is HUTUCCMCAGSDMH-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H27FN2O5/c1-24(16-27(23(30)32-24)20-8-6-19(25)7-9-20)18-10-12-26(13-11-18)14-17-4-2-3-5-21(17)31-15-22(28)29/h2-9,18H,10-16H2,1H3,(H,28,29)/t24-/m0/s1.
What are the key properties of 2-[2-[[4-[(5R)-3-(4-fluorophenyl)-5-methyl-2-oxo-1,3-oxazolidin-5-yl]piperidin-1-yl]methyl]phenoxy]acetic acid?
2-[2-[[4-[(5R)-3-(4-fluorophenyl)-5-methyl-2-oxo-1,3-oxazolidin-5-yl]piperidin-1-yl]methyl]phenoxy]acetic acid has a molecular weight of 442.49 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-[(5R)-3-(4-fluorophenyl)-5-methyl-2-oxo-1,3-oxazolidin-5-yl]piperidin-1-yl]methyl]phenoxy]acetic acid is sourced from PubChem (CID 124964056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).