2-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-4-phenylphenyl]acetic acid

C28H22F3NO5 — CID 175512585

IUPAC2-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-4-phenylphenyl]acetic acid
SMILESO=C(O)Cc1ccc(-c2ccccc2)c(OCc2c(-c3ccccc3OC(F)(F)F)noc2C2CC2)c1
InChIInChI=1S/C28H22F3NO5/c29-28(30,31)36-23-9-5-4-8-21(23)26-22(27(37-32-26)19-11-12-19)16-35-24-14-17(15-25(33)34)10-13-20(24)18-6-2-1-3-7-18/h1-10,13-14,19H,11-12,15-16H2,(H,33,34)
InChIKeyMJORECOEEHTXJB-UHFFFAOYSA-N
MW509.48 g/mol
LogP6.99
Rot. Bonds9

About 2-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-4-phenylphenyl]acetic acid

2-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-4-phenylphenyl]acetic acid (PubChem CID 175512585) has the molecular formula C28H22F3NO5 and a molecular weight of 509.48 g/mol. Its IUPAC name is 2-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-4-phenylphenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-4-phenylphenyl]acetic acid
PubChem CID175512585
Molecular FormulaC28H22F3NO5
Molecular Weight509.48 g/mol
Exact Mass509.15
IUPAC Name2-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-4-phenylphenyl]acetic acid
SMILESO=C(O)Cc1ccc(-c2ccccc2)c(OCc2c(-c3ccccc3OC(F)(F)F)noc2C2CC2)c1
InChIInChI=1S/C28H22F3NO5/c29-28(30,31)36-23-9-5-4-8-21(23)26-22(27(37-32-26)19-11-12-19)16-35-24-14-17(15-25(33)34)10-13-20(24)18-6-2-1-3-7-18/h1-10,13-14,19H,11-12,15-16H2,(H,33,34)
InChIKeyMJORECOEEHTXJB-UHFFFAOYSA-N
XLogP6.99
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.48
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-4-phenylphenyl]acetic acid with MolForge

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Related Compounds

[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-1-bicyclo[2.2.2]octanyl]methanol
CID 138585053
6-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-2-methyl-1-benzofuran-3-carboxylic acid
CID 67273140
4-[(1R,2R)-2-[2-chloro-4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]cyclopropyl]benzoic acid
CID 118374984
6-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-1-benzothiophene-3-carboxylic acid
CID 24752023
3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]bicyclo[3.2.1]octan-8-one
CID 155297940
4-[[(1S,4S,5R)-2-azabicyclo[2.2.1]heptan-5-yl]oxymethyl]-5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole;2,2,2-trifluoroacetic acid
CID 146540960
cis-(1R,3S)-3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]cyclopentan-1-amine
CID 139407011
4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxymethyl]-2-oxabicyclo[2.2.2]octane-1-carboxylic acid
CID 138584536
2-[(1R,5S)-3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]pyrimidine-5-carboxylic acid
CID 118407656
4-[[2-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]bicyclo[2.2.1]heptane-7-carbonyl]amino]-3-(trifluoromethoxy)benzoic acid
CID 134480858
6-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]naphthalene-2-carboxylic acid
CID 171356098
4-[[(3aS,4R)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl]oxymethyl]-5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole
CID 137401835

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-4-phenylphenyl]acetic acid?
The IUPAC name of 2-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-4-phenylphenyl]acetic acid (CID 175512585) is 2-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-4-phenylphenyl]acetic acid.
What is the SMILES notation for 2-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-4-phenylphenyl]acetic acid?
The canonical SMILES for 2-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-4-phenylphenyl]acetic acid is O=C(O)Cc1ccc(-c2ccccc2)c(OCc2c(-c3ccccc3OC(F)(F)F)noc2C2CC2)c1.
What is the InChIKey of 2-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-4-phenylphenyl]acetic acid?
The InChIKey is MJORECOEEHTXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22F3NO5/c29-28(30,31)36-23-9-5-4-8-21(23)26-22(27(37-32-26)19-11-12-19)16-35-24-14-17(15-25(33)34)10-13-20(24)18-6-2-1-3-7-18/h1-10,13-14,19H,11-12,15-16H2,(H,33,34).
What are the key properties of 2-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-4-phenylphenyl]acetic acid?
2-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-4-phenylphenyl]acetic acid has a molecular weight of 509.48 g/mol, XLogP of 6.99, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-4-phenylphenyl]acetic acid is sourced from PubChem (CID 175512585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).