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

C28H24F3NO5 — CID 170551911

IUPAC2-[4-[4-[[5-propan-2-yl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]phenyl]acetic acid
SMILESCC(C)c1onc(-c2ccccc2OC(F)(F)F)c1COc1ccc(-c2ccc(CC(=O)O)cc2)cc1
InChIInChI=1S/C28H24F3NO5/c1-17(2)27-23(26(32-37-27)22-5-3-4-6-24(22)36-28(29,30)31)16-35-21-13-11-20(12-14-21)19-9-7-18(8-10-19)15-25(33)34/h3-14,17H,15-16H2,1-2H3,(H,33,34)
InChIKeyYSEBVUAKQVWUKN-UHFFFAOYSA-N
MW511.50 g/mol
LogP7.24
Rot. Bonds9

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

2-[4-[4-[[5-propan-2-yl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]phenyl]acetic acid (PubChem CID 170551911) has the molecular formula C28H24F3NO5 and a molecular weight of 511.50 g/mol. Its IUPAC name is 2-[4-[4-[[5-propan-2-yl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-[[5-propan-2-yl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]phenyl]acetic acid
PubChem CID170551911
Molecular FormulaC28H24F3NO5
Molecular Weight511.50 g/mol
Exact Mass511.16
IUPAC Name2-[4-[4-[[5-propan-2-yl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]phenyl]acetic acid
SMILESCC(C)c1onc(-c2ccccc2OC(F)(F)F)c1COc1ccc(-c2ccc(CC(=O)O)cc2)cc1
InChIInChI=1S/C28H24F3NO5/c1-17(2)27-23(26(32-37-27)22-5-3-4-6-24(22)36-28(29,30)31)16-35-21-13-11-20(12-14-21)19-9-7-18(8-10-19)15-25(33)34/h3-14,17H,15-16H2,1-2H3,(H,33,34)
InChIKeyYSEBVUAKQVWUKN-UHFFFAOYSA-N
XLogP7.24
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.50
LogP ≤ 57.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

Mofezolac
CID 4237
2-[(1S)-5-{3-[(3-methyl-1,2-benzoxazol-6-yl)oxy]propoxy}-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 24776382
(3-{4-[(3-Phenyl-7-propyl-1,2-benzisoxazol-6-yl)oxy]butoxy}phenyl)acetic acid
CID 11753952
4-[(Dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid
CID 706052
2-[(1S)-5-(3-{[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy}propoxy)-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 24776380
3-[(E)-2-[2-chloro-4-[[3-(2-methoxyphenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]ethenyl]benzoic acid
CID 44143573
4-Ethyl-5-methoxy-2-[4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol
CID 1402231
2-[4-Benzo[d]furan-2-yl-3-(trifluoromethyl)isoxazol-5-yl]-5-methoxyphenol
CID 1183154
{4-[4-(3-Phenyl-7-propyl-benzo[d]isoxazol-6-yloxy)-butoxy]-phenyl}-acetic acid
CID 10004390
(E)-3-[3-(2-Ethoxy-3,5-diisopropyl-phenyl)-benzo[d]isoxazol-5-yl]-but-2-enoic acid
CID 10158313
(5,7-Dipropyl-3-trifluoromethyl-benzo[d]isoxazol-6-yloxy)-(4-isopropyl-phenyl)-acetic acid
CID 10161854
(5,7-Dipropyl-3-trifluoromethyl-benzo[d]isoxazol-6-yloxy)-phenyl-acetic acid
CID 10202354

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[[5-propan-2-yl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[4-[[5-propan-2-yl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]phenyl]acetic acid (CID 170551911) is 2-[4-[4-[[5-propan-2-yl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[4-[[5-propan-2-yl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[4-[[5-propan-2-yl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]phenyl]acetic acid is CC(C)c1onc(-c2ccccc2OC(F)(F)F)c1COc1ccc(-c2ccc(CC(=O)O)cc2)cc1.
What is the InChIKey of 2-[4-[4-[[5-propan-2-yl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]phenyl]acetic acid?
The InChIKey is YSEBVUAKQVWUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F3NO5/c1-17(2)27-23(26(32-37-27)22-5-3-4-6-24(22)36-28(29,30)31)16-35-21-13-11-20(12-14-21)19-9-7-18(8-10-19)15-25(33)34/h3-14,17H,15-16H2,1-2H3,(H,33,34).
What are the key properties of 2-[4-[4-[[5-propan-2-yl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]phenyl]acetic acid?
2-[4-[4-[[5-propan-2-yl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]phenyl]acetic acid has a molecular weight of 511.50 g/mol, XLogP of 7.24, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[[5-propan-2-yl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]phenyl]acetic acid is sourced from PubChem (CID 170551911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).