methyl 3-[3-[[4-cyclobutyloxy-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-yl]methoxy]phenyl]-3-cyclopropylpropanoate

C28H30FNO6 — CID 126584410

IUPACmethyl 3-[3-[[4-cyclobutyloxy-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-yl]methoxy]phenyl]-3-cyclopropylpropanoate
SMILESCOC(=O)CC(c1cccc(OCc2noc(-c3cc(OC)ccc3F)c2OC2CCC2)c1)C1CC1
InChIInChI=1S/C28H30FNO6/c1-32-20-11-12-24(29)23(14-20)27-28(35-19-6-4-7-19)25(30-36-27)16-34-21-8-3-5-18(13-21)22(17-9-10-17)15-26(31)33-2/h3,5,8,11-14,17,19,22H,4,6-7,9-10,15-16H2,1-2H3
InChIKeyBWYQZJFYOPFBPB-UHFFFAOYSA-N
MW495.55 g/mol
LogP6.06
Rot. Bonds11

About methyl 3-[3-[[4-cyclobutyloxy-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-yl]methoxy]phenyl]-3-cyclopropylpropanoate

methyl 3-[3-[[4-cyclobutyloxy-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-yl]methoxy]phenyl]-3-cyclopropylpropanoate (PubChem CID 126584410) has the molecular formula C28H30FNO6 and a molecular weight of 495.55 g/mol. Its IUPAC name is methyl 3-[3-[[4-cyclobutyloxy-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-yl]methoxy]phenyl]-3-cyclopropylpropanoate.

Molecular Properties

Compound Namemethyl 3-[3-[[4-cyclobutyloxy-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-yl]methoxy]phenyl]-3-cyclopropylpropanoate
PubChem CID126584410
Molecular FormulaC28H30FNO6
Molecular Weight495.55 g/mol
Exact Mass495.21
IUPAC Namemethyl 3-[3-[[4-cyclobutyloxy-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-yl]methoxy]phenyl]-3-cyclopropylpropanoate
SMILESCOC(=O)CC(c1cccc(OCc2noc(-c3cc(OC)ccc3F)c2OC2CCC2)c1)C1CC1
InChIInChI=1S/C28H30FNO6/c1-32-20-11-12-24(29)23(14-20)27-28(35-19-6-4-7-19)25(30-36-27)16-34-21-8-3-5-18(13-21)22(17-9-10-17)15-26(31)33-2/h3,5,8,11-14,17,19,22H,4,6-7,9-10,15-16H2,1-2H3
InChIKeyBWYQZJFYOPFBPB-UHFFFAOYSA-N
XLogP6.06
TPSA80.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.55
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

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
(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
(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 (3S)-3-cyclopropyl-3-[3-[[5-(2-fluoro-5-methoxyphenyl)-6-propan-2-ylpyrazin-2-yl]methoxy]phenyl]propanoate
CID 118645828
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
methyl (3S)-3-cyclopropyl-3-[3-[[5-[(1R)-2,2-dimethylcyclopentyl]-2-fluoro-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]propanoate;methyl (3R)-3-cyclopropyl-3-[3-[[5-[(1R)-2,2-dimethylcyclopentyl]-2-fluoro-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]propanoate;methyl (3S)-3-cyclopropyl-3-[3-[[5-[(1S)-2,2-dimethylcyclopentyl]-2-fluoro-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]propanoate;methyl (3R)-3-cyclopropyl-3-[3-[[5-[(1S)-2,2-dimethylcyclopentyl]-2-fluoro-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]propanoate
CID 160918371
3-[3-[[4-(cyclopropylmethoxy)-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-yl]methoxy]phenyl]propanoic acid
CID 145258981
3-cyclopropylsulfanyl-3-[3-[[5-(2-fluoro-5-methoxyphenyl)-4-phenyl-1,2-oxazol-3-yl]methoxy]phenyl]propanoic acid
CID 126589559
ethyl 3-cyclopropyl-3-[3-[[6-(2,2-dimethylpropyl)-5-(2-fluoro-5-methoxyphenyl)pyrazin-2-yl]methoxy]phenyl]propanoate
CID 129288750
(3S)-3-[3-[[6-(2-azaspiro[3.3]heptan-2-yl)-3-(2-fluoro-5-methoxyphenyl)pyrazin-2-yl]methoxy]phenyl]-3-cyclopropylpropanoic acid
CID 118645375

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-[[4-cyclobutyloxy-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-yl]methoxy]phenyl]-3-cyclopropylpropanoate?
The IUPAC name of methyl 3-[3-[[4-cyclobutyloxy-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-yl]methoxy]phenyl]-3-cyclopropylpropanoate (CID 126584410) is methyl 3-[3-[[4-cyclobutyloxy-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-yl]methoxy]phenyl]-3-cyclopropylpropanoate.
What is the SMILES notation for methyl 3-[3-[[4-cyclobutyloxy-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-yl]methoxy]phenyl]-3-cyclopropylpropanoate?
The canonical SMILES for methyl 3-[3-[[4-cyclobutyloxy-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-yl]methoxy]phenyl]-3-cyclopropylpropanoate is COC(=O)CC(c1cccc(OCc2noc(-c3cc(OC)ccc3F)c2OC2CCC2)c1)C1CC1.
What is the InChIKey of methyl 3-[3-[[4-cyclobutyloxy-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-yl]methoxy]phenyl]-3-cyclopropylpropanoate?
The InChIKey is BWYQZJFYOPFBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FNO6/c1-32-20-11-12-24(29)23(14-20)27-28(35-19-6-4-7-19)25(30-36-27)16-34-21-8-3-5-18(13-21)22(17-9-10-17)15-26(31)33-2/h3,5,8,11-14,17,19,22H,4,6-7,9-10,15-16H2,1-2H3.
What are the key properties of methyl 3-[3-[[4-cyclobutyloxy-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-yl]methoxy]phenyl]-3-cyclopropylpropanoate?
methyl 3-[3-[[4-cyclobutyloxy-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-yl]methoxy]phenyl]-3-cyclopropylpropanoate has a molecular weight of 495.55 g/mol, XLogP of 6.06, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-[[4-cyclobutyloxy-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-yl]methoxy]phenyl]-3-cyclopropylpropanoate is sourced from PubChem (CID 126584410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).