3-[3-[[4-(cyclopropylmethoxy)-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-yl]methoxy]phenyl]propanoic acid

C24H24FNO6 — CID 145258981

IUPAC3-[3-[[4-(cyclopropylmethoxy)-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-yl]methoxy]phenyl]propanoic acid
SMILESCOc1ccc(F)c(-c2onc(COc3cccc(CCC(=O)O)c3)c2OCC2CC2)c1
InChIInChI=1S/C24H24FNO6/c1-29-17-8-9-20(25)19(12-17)23-24(31-13-16-5-6-16)21(26-32-23)14-30-18-4-2-3-15(11-18)7-10-22(27)28/h2-4,8-9,11-12,16H,5-7,10,13-14H2,1H3,(H,27,28)
InChIKeyZFQTXJJYXMOKLY-UHFFFAOYSA-N
MW441.46 g/mol
LogP4.87
Rot. Bonds11

About 3-[3-[[4-(cyclopropylmethoxy)-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-yl]methoxy]phenyl]propanoic acid

3-[3-[[4-(cyclopropylmethoxy)-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-yl]methoxy]phenyl]propanoic acid (PubChem CID 145258981) has the molecular formula C24H24FNO6 and a molecular weight of 441.46 g/mol. Its IUPAC name is 3-[3-[[4-(cyclopropylmethoxy)-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-yl]methoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[3-[[4-(cyclopropylmethoxy)-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-yl]methoxy]phenyl]propanoic acid
PubChem CID145258981
Molecular FormulaC24H24FNO6
Molecular Weight441.46 g/mol
Exact Mass441.16
IUPAC Name3-[3-[[4-(cyclopropylmethoxy)-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-yl]methoxy]phenyl]propanoic acid
SMILESCOc1ccc(F)c(-c2onc(COc3cccc(CCC(=O)O)c3)c2OCC2CC2)c1
InChIInChI=1S/C24H24FNO6/c1-29-17-8-9-20(25)19(12-17)23-24(31-13-16-5-6-16)21(26-32-23)14-30-18-4-2-3-15(11-18)7-10-22(27)28/h2-4,8-9,11-12,16H,5-7,10,13-14H2,1H3,(H,27,28)
InChIKeyZFQTXJJYXMOKLY-UHFFFAOYSA-N
XLogP4.87
TPSA91.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.46
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[3-[[4-(cyclopropylmethoxy)-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-yl]methoxy]phenyl]propanoic acid with MolForge

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Related Compounds

3-[3-[[5-(2-fluoro-5-methoxyphenyl)-4-(2-methylpropyl)-1,2-oxazol-3-yl]methoxy]phenyl]propanoic acid
CID 126585653
(3S)-3-cyclopropyl-3-[3-[[5-(2-fluoro-5-methoxyphenyl)-4-[(2,2,3,3-tetramethylcyclopropyl)methoxy]-1,2-oxazol-3-yl]methoxy]phenyl]propanoic acid;sulfane
CID 158045196
methyl (3S)-3-cyclopropyl-3-[3-[[4-[(3,3-dimethylcyclobutyl)methoxy]-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-yl]methoxy]phenyl]propanoate
CID 126576888
(3R)-3-[3-[[4-cyclobutyloxy-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-yl]methoxy]phenyl]butanoic acid
CID 126584489
3-[3-[[4-cyclopropyl-5-(2-fluoro-5-methoxyphenyl)thiophen-3-yl]methoxy]phenyl]propanoic acid
CID 126589648
3-[3-[[5-(2,2-dimethylcyclopentyl)-2-fluoro-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]propanoic acid
CID 143788660
3-[3-[[5-(2-fluoro-5-methoxyphenyl)-6-(1,1,1-trifluoropropan-2-yl)pyrazin-2-yl]methoxy]phenyl]propanoic acid
CID 144996624
(3S)-3-cyclopropyl-3-[3-[[5-(2-fluoro-5-methoxyphenyl)-4-(2-methylpropoxy)-1,2-oxazol-3-yl]methoxy]phenyl]propan-1-ol
CID 126572852
methyl 3-[3-[[4-cyclobutyloxy-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-yl]methoxy]phenyl]-3-cyclopropylpropanoate
CID 126584410
3-[3-[[1-(2-fluoro-5-methoxyphenyl)-5-methyltriazol-4-yl]methoxy]phenyl]propanoic acid
CID 145259017
3-cyclopropylsulfanyl-3-[3-[[5-(2-fluoro-5-methoxyphenyl)-4-phenyl-1,2-oxazol-3-yl]methoxy]phenyl]propanoic acid
CID 126589559
3-[3-[[5-(2-fluoro-5-methoxyphenyl)-6-(2-methylpropoxy)pyrazin-2-yl]methoxy]phenyl]propanoic acid
CID 144996610

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[4-(cyclopropylmethoxy)-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-yl]methoxy]phenyl]propanoic acid?
The IUPAC name of 3-[3-[[4-(cyclopropylmethoxy)-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-yl]methoxy]phenyl]propanoic acid (CID 145258981) is 3-[3-[[4-(cyclopropylmethoxy)-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-yl]methoxy]phenyl]propanoic acid.
What is the SMILES notation for 3-[3-[[4-(cyclopropylmethoxy)-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-yl]methoxy]phenyl]propanoic acid?
The canonical SMILES for 3-[3-[[4-(cyclopropylmethoxy)-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-yl]methoxy]phenyl]propanoic acid is COc1ccc(F)c(-c2onc(COc3cccc(CCC(=O)O)c3)c2OCC2CC2)c1.
What is the InChIKey of 3-[3-[[4-(cyclopropylmethoxy)-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-yl]methoxy]phenyl]propanoic acid?
The InChIKey is ZFQTXJJYXMOKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FNO6/c1-29-17-8-9-20(25)19(12-17)23-24(31-13-16-5-6-16)21(26-32-23)14-30-18-4-2-3-15(11-18)7-10-22(27)28/h2-4,8-9,11-12,16H,5-7,10,13-14H2,1H3,(H,27,28).
What are the key properties of 3-[3-[[4-(cyclopropylmethoxy)-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-yl]methoxy]phenyl]propanoic acid?
3-[3-[[4-(cyclopropylmethoxy)-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-yl]methoxy]phenyl]propanoic acid has a molecular weight of 441.46 g/mol, XLogP of 4.87, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[4-(cyclopropylmethoxy)-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-yl]methoxy]phenyl]propanoic acid is sourced from PubChem (CID 145258981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).