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

C28H22F3NO5 — CID 170551888

IUPAC2-[3-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(-c2ccc(OCc3c(-c4ccccc4OC(F)(F)F)noc3C3CC3)cc2)c1
InChIInChI=1S/C28H22F3NO5/c29-28(30,31)36-24-7-2-1-6-22(24)26-23(27(37-32-26)19-8-9-19)16-35-21-12-10-18(11-13-21)20-5-3-4-17(14-20)15-25(33)34/h1-7,10-14,19H,8-9,15-16H2,(H,33,34)
InChIKeyZRMZSNBNJVHMKX-UHFFFAOYSA-N
MW509.48 g/mol
LogP6.99
Rot. Bonds9

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

2-[3-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]phenyl]acetic acid (PubChem CID 170551888) has the molecular formula C28H22F3NO5 and a molecular weight of 509.48 g/mol. Its IUPAC name is 2-[3-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]phenyl]acetic acid
PubChem CID170551888
Molecular FormulaC28H22F3NO5
Molecular Weight509.48 g/mol
Exact Mass509.15
IUPAC Name2-[3-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(-c2ccc(OCc3c(-c4ccccc4OC(F)(F)F)noc3C3CC3)cc2)c1
InChIInChI=1S/C28H22F3NO5/c29-28(30,31)36-24-7-2-1-6-22(24)26-23(27(37-32-26)19-8-9-19)16-35-21-12-10-18(11-13-21)20-5-3-4-17(14-20)15-25(33)34/h1-7,10-14,19H,8-9,15-16H2,(H,33,34)
InChIKeyZRMZSNBNJVHMKX-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-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]phenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]phenyl]acetic acid?
The IUPAC name of 2-[3-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]phenyl]acetic acid (CID 170551888) is 2-[3-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]phenyl]acetic acid?
The canonical SMILES for 2-[3-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]phenyl]acetic acid is O=C(O)Cc1cccc(-c2ccc(OCc3c(-c4ccccc4OC(F)(F)F)noc3C3CC3)cc2)c1.
What is the InChIKey of 2-[3-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]phenyl]acetic acid?
The InChIKey is ZRMZSNBNJVHMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22F3NO5/c29-28(30,31)36-24-7-2-1-6-22(24)26-23(27(37-32-26)19-8-9-19)16-35-21-12-10-18(11-13-21)20-5-3-4-17(14-20)15-25(33)34/h1-7,10-14,19H,8-9,15-16H2,(H,33,34).
What are the key properties of 2-[3-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]phenyl]acetic acid?
2-[3-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]phenyl]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-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]phenyl]acetic acid is sourced from PubChem (CID 170551888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).