5-(3-fluoro-4-phenylmethoxyphenyl)-1,2-oxazole-3-carboxylic acid

C17H12FNO4 — CID 117498686

IUPAC5-(3-fluoro-4-phenylmethoxyphenyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(OCc3ccccc3)c(F)c2)on1
InChIInChI=1S/C17H12FNO4/c18-13-8-12(16-9-14(17(20)21)19-23-16)6-7-15(13)22-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,20,21)
InChIKeyWCRNABAGVFGBDU-UHFFFAOYSA-N
MW313.28 g/mol
LogP3.76
Rot. Bonds5

About 5-(3-fluoro-4-phenylmethoxyphenyl)-1,2-oxazole-3-carboxylic acid

5-(3-fluoro-4-phenylmethoxyphenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 117498686) has the molecular formula C17H12FNO4 and a molecular weight of 313.28 g/mol. Its IUPAC name is 5-(3-fluoro-4-phenylmethoxyphenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-fluoro-4-phenylmethoxyphenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID117498686
Molecular FormulaC17H12FNO4
Molecular Weight313.28 g/mol
Exact Mass313.08
IUPAC Name5-(3-fluoro-4-phenylmethoxyphenyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(OCc3ccccc3)c(F)c2)on1
InChIInChI=1S/C17H12FNO4/c18-13-8-12(16-9-14(17(20)21)19-23-16)6-7-15(13)22-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,20,21)
InChIKeyWCRNABAGVFGBDU-UHFFFAOYSA-N
XLogP3.76
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-4-(3-fluoro-4-phenylmethoxyphenyl)benzoic acid
CID 72704684
5-[4-fluoro-3-(hydroxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117345950
5-[4-(2-phenylethoxy)phenyl]-1,2-oxazole-3-carboxylic acid
CID 54846814
4-[4-(4-bromophenyl)phenyl]-2-fluoro-1-phenylmethoxybenzene
CID 54061452
5-[4-(3-phenylpropoxy)phenyl]-1,2-oxazole-3-carboxylic acid
CID 54846850
5-(3-fluoro-4-phenylmethoxyphenyl)-1H-pyridin-2-one
CID 122200240
2-phenylmethoxy-5-(3,4,5-trifluorophenyl)benzoic acid
CID 172650688
2-fluoro-4-[4-(3-fluorophenyl)phenyl]-1-phenylmethoxybenzene
CID 54485852
5-[3-(2,2,2-trifluoroethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117430489
2-fluoro-4-(2-phenylmethoxyphenyl)benzoic acid
CID 53228660
[2-(3-fluoro-4-phenylmethoxyphenyl)-4-pyridinyl]-morpholin-4-ylmethanone
CID 74234077
benzyl (4S)-2-(3-fluoro-4-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 46201338

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-phenylmethoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(3-fluoro-4-phenylmethoxyphenyl)-1,2-oxazole-3-carboxylic acid (CID 117498686) is 5-(3-fluoro-4-phenylmethoxyphenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(3-fluoro-4-phenylmethoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(3-fluoro-4-phenylmethoxyphenyl)-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(-c2ccc(OCc3ccccc3)c(F)c2)on1.
What is the InChIKey of 5-(3-fluoro-4-phenylmethoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is WCRNABAGVFGBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO4/c18-13-8-12(16-9-14(17(20)21)19-23-16)6-7-15(13)22-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,20,21).
What are the key properties of 5-(3-fluoro-4-phenylmethoxyphenyl)-1,2-oxazole-3-carboxylic acid?
5-(3-fluoro-4-phenylmethoxyphenyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 313.28 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-phenylmethoxyphenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117498686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).