3-[2-fluoro-4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-hydroxypropanoic acid

C20H17F2NO5 — CID 141087704

IUPAC3-[2-fluoro-4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-hydroxypropanoic acid
SMILESCc1oc(-c2ccccc2F)nc1COc1ccc(CC(O)C(=O)O)c(F)c1
InChIInChI=1S/C20H17F2NO5/c1-11-17(23-19(28-11)14-4-2-3-5-15(14)21)10-27-13-7-6-12(16(22)9-13)8-18(24)20(25)26/h2-7,9,18,24H,8,10H2,1H3,(H,25,26)
InChIKeyCPLQFCMGIMOYHC-UHFFFAOYSA-N
MW389.35 g/mol
LogP3.50
Rot. Bonds7

About 3-[2-fluoro-4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-hydroxypropanoic acid

3-[2-fluoro-4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-hydroxypropanoic acid (PubChem CID 141087704) has the molecular formula C20H17F2NO5 and a molecular weight of 389.35 g/mol. Its IUPAC name is 3-[2-fluoro-4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-[2-fluoro-4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-hydroxypropanoic acid
PubChem CID141087704
Molecular FormulaC20H17F2NO5
Molecular Weight389.35 g/mol
Exact Mass389.11
IUPAC Name3-[2-fluoro-4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-hydroxypropanoic acid
SMILESCc1oc(-c2ccccc2F)nc1COc1ccc(CC(O)C(=O)O)c(F)c1
InChIInChI=1S/C20H17F2NO5/c1-11-17(23-19(28-11)14-4-2-3-5-15(14)21)10-27-13-7-6-12(16(22)9-13)8-18(24)20(25)26/h2-7,9,18,24H,8,10H2,1H3,(H,25,26)
InChIKeyCPLQFCMGIMOYHC-UHFFFAOYSA-N
XLogP3.50
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.35
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-ethoxy-3-[2-fluoro-4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]propanoic acid
CID 69280484
3-[2-chloro-4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-ethoxypropanoic acid
CID 22273894
methyl (2S)-2-ethoxy-3-[2-fluoro-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propanoate
CID 69279897
2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-phenoxyethoxy)acetamide
CID 110354976
2-ethoxy-3-[4-[[2-(4-fluoro-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-2-methylphenyl]propanoic acid
CID 22273910
2-ethoxy-3-[2-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propanoic acid
CID 22273882
4-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]benzaldehyde
CID 10758402
(2S)-3-[2-chloro-4-[[2-(4-fluoro-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-ethoxypropanoic acid
CID 10253066
N-(2,4-dimethoxyphenyl)-2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110356056
N-[2-[[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]ethyl]benzamide
CID 110354604
N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-2-phenylacetamide
CID 110641249
methyl 2-hydroxy-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]acetate
CID 15280381

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-hydroxypropanoic acid?
The IUPAC name of 3-[2-fluoro-4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-hydroxypropanoic acid (CID 141087704) is 3-[2-fluoro-4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-hydroxypropanoic acid.
What is the SMILES notation for 3-[2-fluoro-4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-hydroxypropanoic acid?
The canonical SMILES for 3-[2-fluoro-4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-hydroxypropanoic acid is Cc1oc(-c2ccccc2F)nc1COc1ccc(CC(O)C(=O)O)c(F)c1.
What is the InChIKey of 3-[2-fluoro-4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-hydroxypropanoic acid?
The InChIKey is CPLQFCMGIMOYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2NO5/c1-11-17(23-19(28-11)14-4-2-3-5-15(14)21)10-27-13-7-6-12(16(22)9-13)8-18(24)20(25)26/h2-7,9,18,24H,8,10H2,1H3,(H,25,26).
What are the key properties of 3-[2-fluoro-4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-hydroxypropanoic acid?
3-[2-fluoro-4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-hydroxypropanoic acid has a molecular weight of 389.35 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-hydroxypropanoic acid is sourced from PubChem (CID 141087704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).