3-[4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methoxy]-2-fluorophenyl]propanoic acid

C20H19FN2O4 — CID 127046665

IUPAC3-[4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methoxy]-2-fluorophenyl]propanoic acid
SMILESCc1noc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)n1
InChIInChI=1S/C20H19FN2O4/c1-12-20(13(2)27-23-12)18-5-3-4-15(22-18)11-26-16-8-6-14(17(21)10-16)7-9-19(24)25/h3-6,8,10H,7,9,11H2,1-2H3,(H,24,25)
InChIKeyCZFPKKDYOUXXKB-UHFFFAOYSA-N
MW370.38 g/mol
LogP4.09
Rot. Bonds7

About 3-[4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methoxy]-2-fluorophenyl]propanoic acid

3-[4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methoxy]-2-fluorophenyl]propanoic acid (PubChem CID 127046665) has the molecular formula C20H19FN2O4 and a molecular weight of 370.38 g/mol. Its IUPAC name is 3-[4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methoxy]-2-fluorophenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methoxy]-2-fluorophenyl]propanoic acid
PubChem CID127046665
Molecular FormulaC20H19FN2O4
Molecular Weight370.38 g/mol
Exact Mass370.13
IUPAC Name3-[4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methoxy]-2-fluorophenyl]propanoic acid
SMILESCc1noc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)n1
InChIInChI=1S/C20H19FN2O4/c1-12-20(13(2)27-23-12)18-5-3-4-15(22-18)11-26-16-8-6-14(17(21)10-16)7-9-19(24)25/h3-6,8,10H,7,9,11H2,1-2H3,(H,24,25)
InChIKeyCZFPKKDYOUXXKB-UHFFFAOYSA-N
XLogP4.09
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methoxy]-2-fluorophenyl]propanoic acid with MolForge

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Related Compounds

3-[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluorophenyl]methoxy]-2-fluorophenyl]propanoic acid
CID 127045659
3-[2-fluoro-4-[[3-(2,4,6-trimethylphenyl)phenyl]methoxy]phenyl]propanoic acid
CID 58903194
3-[2-fluoro-4-[[6-[4-(2-methoxyethoxy)-2,6-dimethylphenyl]-2-pyridinyl]oxymethyl]phenyl]propanoic acid
CID 86304248
ethane;3-[6-(phenoxymethyl)-2-pyridinyl]propanoic acid
CID 142004811
3-[4-[[3-[4-[2-(diethylamino)ethoxy]-2,6-dimethylphenyl]phenyl]methoxy]-2-fluorophenyl]propanoic acid
CID 58903162
3-[2-fluoro-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoic acid
CID 56640142
3-[2-fluoro-4-[(5-formyl-4-methoxythiophen-2-yl)methoxy]phenyl]propanoic acid
CID 141296713
3-(2-methyl-4-phenylmethoxyphenyl)propanoic acid
CID 59522903
3-[2-fluoro-4-[[4-[[(4-phenyl-1,3-thiazol-2-yl)-(2-pyridin-2-ylethyl)amino]methyl]phenyl]methoxy]phenyl]propanoic acid
CID 23143312
3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazol-4-yl]propanoic acid
CID 103485219
6-[(3-fluoro-4-methylphenoxy)methyl]pyridine-2-carbohydrazide
CID 107171067
6-[(3,5-difluorophenoxy)methyl]pyridine-2-carboxylic acid
CID 106903359

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methoxy]-2-fluorophenyl]propanoic acid?
The IUPAC name of 3-[4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methoxy]-2-fluorophenyl]propanoic acid (CID 127046665) is 3-[4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methoxy]-2-fluorophenyl]propanoic acid.
What is the SMILES notation for 3-[4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methoxy]-2-fluorophenyl]propanoic acid?
The canonical SMILES for 3-[4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methoxy]-2-fluorophenyl]propanoic acid is Cc1noc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)n1.
What is the InChIKey of 3-[4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methoxy]-2-fluorophenyl]propanoic acid?
The InChIKey is CZFPKKDYOUXXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O4/c1-12-20(13(2)27-23-12)18-5-3-4-15(22-18)11-26-16-8-6-14(17(21)10-16)7-9-19(24)25/h3-6,8,10H,7,9,11H2,1-2H3,(H,24,25).
What are the key properties of 3-[4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methoxy]-2-fluorophenyl]propanoic acid?
3-[4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methoxy]-2-fluorophenyl]propanoic acid has a molecular weight of 370.38 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methoxy]-2-fluorophenyl]propanoic acid is sourced from PubChem (CID 127046665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).