3-fluoro-4-[[6-methyl-5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzoic acid

C28H28FN3O5 — CID 69493531

IUPAC3-fluoro-4-[[6-methyl-5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzoic acid
SMILESCc1nc(Oc2ccc(C(=O)O)cc2F)ccc1CN1CCC(N2C(=O)OCC2c2ccccc2)CC1
InChIInChI=1S/C28H28FN3O5/c1-18-21(8-10-26(30-18)37-25-9-7-20(27(33)34)15-23(25)29)16-31-13-11-22(12-14-31)32-24(17-36-28(32)35)19-5-3-2-4-6-19/h2-10,15,22,24H,11-14,16-17H2,1H3,(H,33,34)
InChIKeyAMFUTWSAYYPXIG-UHFFFAOYSA-N
MW505.55 g/mol
LogP5.18
Rot. Bonds7

About 3-fluoro-4-[[6-methyl-5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzoic acid

3-fluoro-4-[[6-methyl-5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzoic acid (PubChem CID 69493531) has the molecular formula C28H28FN3O5 and a molecular weight of 505.55 g/mol. Its IUPAC name is 3-fluoro-4-[[6-methyl-5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzoic acid.

Molecular Properties

Compound Name3-fluoro-4-[[6-methyl-5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzoic acid
PubChem CID69493531
Molecular FormulaC28H28FN3O5
Molecular Weight505.55 g/mol
Exact Mass505.20
IUPAC Name3-fluoro-4-[[6-methyl-5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzoic acid
SMILESCc1nc(Oc2ccc(C(=O)O)cc2F)ccc1CN1CCC(N2C(=O)OCC2c2ccccc2)CC1
InChIInChI=1S/C28H28FN3O5/c1-18-21(8-10-26(30-18)37-25-9-7-20(27(33)34)15-23(25)29)16-31-13-11-22(12-14-31)32-24(17-36-28(32)35)19-5-3-2-4-6-19/h2-10,15,22,24H,11-14,16-17H2,1H3,(H,33,34)
InChIKeyAMFUTWSAYYPXIG-UHFFFAOYSA-N
XLogP5.18
TPSA92.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.55
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-fluoro-4-[[6-methyl-5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzoic acid with MolForge

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Launch Full Analysis

Related Compounds

3-fluoro-4-[[6-methyl-5-[[4-[3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzoic acid
CID 69494049
2-methyl-4-[[6-methyl-5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzoic acid
CID 69493099
[4-[[6-methyl-5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]phenyl] acetate
CID 69494254
2-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]phenyl]acetic acid
CID 58835058
2-methyl-4-[[6-methyl-5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzonitrile
CID 69494383
(4R)-4-(3-chlorophenyl)-3-[1-[[6-(4-methoxyphenoxy)-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 58835105
N-cyclopropyl-4-[[5-[[4-(2-methoxyimino-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]benzamide
CID 73225307
6-methyl-4-[[6-methyl-5-[[4-[(4R)-4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]cyclohexa-1,3-diene-1-carboxylic acid
CID 163701572
(4R)-3-[1-[[6-(3,4-dihydroxyphenoxy)-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-4-phenyl-1,3-oxazolidine-2-thione
CID 89380470
N-methyl-2-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]sulfanyl]phenyl]acetamide
CID 58835099
N-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]amino]phenyl]methanesulfonamide
CID 58835132
2-[4-[[6-methyl-5-[[4-[4-(4-methylcyclohepta-1,4,6-trien-1-yl)-2-oxo-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]phenoxy]acetic acid
CID 143414081

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[[6-methyl-5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzoic acid?
The IUPAC name of 3-fluoro-4-[[6-methyl-5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzoic acid (CID 69493531) is 3-fluoro-4-[[6-methyl-5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzoic acid.
What is the SMILES notation for 3-fluoro-4-[[6-methyl-5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzoic acid?
The canonical SMILES for 3-fluoro-4-[[6-methyl-5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzoic acid is Cc1nc(Oc2ccc(C(=O)O)cc2F)ccc1CN1CCC(N2C(=O)OCC2c2ccccc2)CC1.
What is the InChIKey of 3-fluoro-4-[[6-methyl-5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzoic acid?
The InChIKey is AMFUTWSAYYPXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN3O5/c1-18-21(8-10-26(30-18)37-25-9-7-20(27(33)34)15-23(25)29)16-31-13-11-22(12-14-31)32-24(17-36-28(32)35)19-5-3-2-4-6-19/h2-10,15,22,24H,11-14,16-17H2,1H3,(H,33,34).
What are the key properties of 3-fluoro-4-[[6-methyl-5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzoic acid?
3-fluoro-4-[[6-methyl-5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzoic acid has a molecular weight of 505.55 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[[6-methyl-5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzoic acid is sourced from PubChem (CID 69493531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).