(3R)-3-[3-[[4-cyclobutyloxy-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-yl]methoxy]phenyl]butanoic acid

C25H26FNO6 — CID 126584489

IUPAC(3R)-3-[3-[[4-cyclobutyloxy-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-yl]methoxy]phenyl]butanoic acid
SMILESCOc1ccc(F)c(-c2onc(COc3cccc([C@H](C)CC(=O)O)c3)c2OC2CCC2)c1
InChIInChI=1S/C25H26FNO6/c1-15(11-23(28)29)16-5-3-8-19(12-16)31-14-22-25(32-17-6-4-7-17)24(33-27-22)20-13-18(30-2)9-10-21(20)26/h3,5,8-10,12-13,15,17H,4,6-7,11,14H2,1-2H3,(H,28,29)/t15-/m1/s1
InChIKeyOMTCDZPNFGADFC-OAHLLOKOSA-N
MW455.48 g/mol
LogP5.58
Rot. Bonds10

About (3R)-3-[3-[[4-cyclobutyloxy-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-yl]methoxy]phenyl]butanoic acid

(3R)-3-[3-[[4-cyclobutyloxy-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-yl]methoxy]phenyl]butanoic acid (PubChem CID 126584489) has the molecular formula C25H26FNO6 and a molecular weight of 455.48 g/mol. Its IUPAC name is (3R)-3-[3-[[4-cyclobutyloxy-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-yl]methoxy]phenyl]butanoic acid.

Molecular Properties

Compound Name(3R)-3-[3-[[4-cyclobutyloxy-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-yl]methoxy]phenyl]butanoic acid
PubChem CID126584489
Molecular FormulaC25H26FNO6
Molecular Weight455.48 g/mol
Exact Mass455.17
IUPAC Name(3R)-3-[3-[[4-cyclobutyloxy-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-yl]methoxy]phenyl]butanoic acid
SMILESCOc1ccc(F)c(-c2onc(COc3cccc([C@H](C)CC(=O)O)c3)c2OC2CCC2)c1
InChIInChI=1S/C25H26FNO6/c1-15(11-23(28)29)16-5-3-8-19(12-16)31-14-22-25(32-17-6-4-7-17)24(33-27-22)20-13-18(30-2)9-10-21(20)26/h3,5,8-10,12-13,15,17H,4,6-7,11,14H2,1-2H3,(H,28,29)/t15-/m1/s1
InChIKeyOMTCDZPNFGADFC-OAHLLOKOSA-N
XLogP5.58
TPSA91.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.48
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

methyl 3-[3-[[4-cyclobutyloxy-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-yl]methoxy]phenyl]-3-cyclopropylpropanoate
CID 126584410
(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
3-cyclopropylsulfanyl-3-[3-[[5-(2-fluoro-5-methoxyphenyl)-4-phenyl-1,2-oxazol-3-yl]methoxy]phenyl]propanoic acid
CID 126589559
3-[3-[[4-(cyclopropylmethoxy)-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-yl]methoxy]phenyl]propanoic acid
CID 145258981
(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
(3R)-3-[3-[[6-cyclohexyloxy-5-(2-fluoro-5-methoxyphenyl)pyrazin-2-yl]methoxy]phenyl]-3-hydroxypropanoic acid
CID 118656349
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
(3S)-3-[3-[[4-(2-fluoro-5-methoxyphenyl)-3-(oxan-2-yloxy)phenyl]methoxy]phenyl]butanoic acid
CID 25261789
3-[3-[[6-cyclopentyloxy-5-(2-fluoro-5-methoxyphenyl)pyrazin-2-yl]methoxy]phenyl]-3-cyclopropylpropanoic acid
CID 129288793
3-[3-[[6-cyclohexyloxy-5-(2-fluoro-5-methoxyphenyl)pyrazin-2-yl]methoxy]phenyl]-3-cyclopropylpropanoic acid
CID 129288817
3-[3-[[5-(2-fluoro-5-methoxyphenyl)-4-(2-methylpropyl)-1,2-oxazol-3-yl]methoxy]phenyl]propanoic acid
CID 126585653
(3S)-3-[3-[[4-(2-fluoro-5-methoxyphenyl)-3-pentoxyphenyl]methoxy]phenyl]butanoic acid;(3R)-3-[3-[[4-(2-fluoro-5-methoxyphenyl)-3-pentoxyphenyl]methoxy]phenyl]butanoic acid;methane
CID 158028435

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[3-[[4-cyclobutyloxy-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-yl]methoxy]phenyl]butanoic acid?
The IUPAC name of (3R)-3-[3-[[4-cyclobutyloxy-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-yl]methoxy]phenyl]butanoic acid (CID 126584489) is (3R)-3-[3-[[4-cyclobutyloxy-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-yl]methoxy]phenyl]butanoic acid.
What is the SMILES notation for (3R)-3-[3-[[4-cyclobutyloxy-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-yl]methoxy]phenyl]butanoic acid?
The canonical SMILES for (3R)-3-[3-[[4-cyclobutyloxy-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-yl]methoxy]phenyl]butanoic acid is COc1ccc(F)c(-c2onc(COc3cccc([C@H](C)CC(=O)O)c3)c2OC2CCC2)c1.
What is the InChIKey of (3R)-3-[3-[[4-cyclobutyloxy-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-yl]methoxy]phenyl]butanoic acid?
The InChIKey is OMTCDZPNFGADFC-OAHLLOKOSA-N. The full InChI is InChI=1S/C25H26FNO6/c1-15(11-23(28)29)16-5-3-8-19(12-16)31-14-22-25(32-17-6-4-7-17)24(33-27-22)20-13-18(30-2)9-10-21(20)26/h3,5,8-10,12-13,15,17H,4,6-7,11,14H2,1-2H3,(H,28,29)/t15-/m1/s1.
What are the key properties of (3R)-3-[3-[[4-cyclobutyloxy-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-yl]methoxy]phenyl]butanoic acid?
(3R)-3-[3-[[4-cyclobutyloxy-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-yl]methoxy]phenyl]butanoic acid has a molecular weight of 455.48 g/mol, XLogP of 5.58, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[3-[[4-cyclobutyloxy-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-yl]methoxy]phenyl]butanoic acid is sourced from PubChem (CID 126584489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).