2-[3-[2-[4-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethoxy]phenyl]acetic acid

C20H16F3NO4 — CID 91346913

IUPAC2-[3-[2-[4-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethoxy]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(OCCc2nc(-c3cccc(C(F)(F)F)c3)co2)c1
InChIInChI=1S/C20H16F3NO4/c21-20(22,23)15-5-2-4-14(11-15)17-12-28-18(24-17)7-8-27-16-6-1-3-13(9-16)10-19(25)26/h1-6,9,11-12H,7-8,10H2,(H,25,26)
InChIKeyROTQSVCYYOMWAE-UHFFFAOYSA-N
MW391.35 g/mol
LogP4.61
Rot. Bonds7

About 2-[3-[2-[4-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethoxy]phenyl]acetic acid

2-[3-[2-[4-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethoxy]phenyl]acetic acid (PubChem CID 91346913) has the molecular formula C20H16F3NO4 and a molecular weight of 391.35 g/mol. Its IUPAC name is 2-[3-[2-[4-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[2-[4-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethoxy]phenyl]acetic acid
PubChem CID91346913
Molecular FormulaC20H16F3NO4
Molecular Weight391.35 g/mol
Exact Mass391.10
IUPAC Name2-[3-[2-[4-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethoxy]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(OCCc2nc(-c3cccc(C(F)(F)F)c3)co2)c1
InChIInChI=1S/C20H16F3NO4/c21-20(22,23)15-5-2-4-14(11-15)17-12-28-18(24-17)7-8-27-16-6-1-3-13(9-16)10-19(25)26/h1-6,9,11-12H,7-8,10H2,(H,25,26)
InChIKeyROTQSVCYYOMWAE-UHFFFAOYSA-N
XLogP4.61
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[3-[4-[2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]propoxy]phenyl]acetic acid
CID 90913403
2-[3-[2-[5-(2,2,2-trifluoroethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]acetic acid
CID 23125399
2-[3-[2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenoxy]ethoxy]phenyl]acetic acid
CID 11619007
2-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetic acid
CID 4200420
2-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]acetic acid
CID 118342919
2-[3-(3,3,3-trifluoro-2-hydroxypropoxy)phenyl]acetic acid
CID 63899374
2-[3-[[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]phenyl]acetic acid
CID 58626626
2-[3-ethoxy-5-[3-[3-(trifluoromethyl)phenyl]phenoxy]phenyl]acetic acid
CID 59820537
2-[3-(4-phenylbutoxy)phenyl]acetic acid
CID 114332927
2-[3-[3-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]methoxy]phenyl]phenyl]acetic acid
CID 10411141
2-[3-(2,2,2-trifluoroethoxymethoxy)phenyl]acetic acid
CID 106704428
2-[3,6-bis[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
CID 134623875

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[4-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethoxy]phenyl]acetic acid?
The IUPAC name of 2-[3-[2-[4-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethoxy]phenyl]acetic acid (CID 91346913) is 2-[3-[2-[4-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[2-[4-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethoxy]phenyl]acetic acid?
The canonical SMILES for 2-[3-[2-[4-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethoxy]phenyl]acetic acid is O=C(O)Cc1cccc(OCCc2nc(-c3cccc(C(F)(F)F)c3)co2)c1.
What is the InChIKey of 2-[3-[2-[4-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethoxy]phenyl]acetic acid?
The InChIKey is ROTQSVCYYOMWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3NO4/c21-20(22,23)15-5-2-4-14(11-15)17-12-28-18(24-17)7-8-27-16-6-1-3-13(9-16)10-19(25)26/h1-6,9,11-12H,7-8,10H2,(H,25,26).
What are the key properties of 2-[3-[2-[4-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethoxy]phenyl]acetic acid?
2-[3-[2-[4-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethoxy]phenyl]acetic acid has a molecular weight of 391.35 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[4-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethoxy]phenyl]acetic acid is sourced from PubChem (CID 91346913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).