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

C22H20F3NO4 — CID 58626626

IUPAC2-[3-[[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]phenyl]acetic acid
SMILESCC(C)c1nc(-c2ccc(C(F)(F)F)cc2)oc1COc1cccc(CC(=O)O)c1
InChIInChI=1S/C22H20F3NO4/c1-13(2)20-18(12-29-17-5-3-4-14(10-17)11-19(27)28)30-21(26-20)15-6-8-16(9-7-15)22(23,24)25/h3-10,13H,11-12H2,1-2H3,(H,27,28)
InChIKeyKONNMPCIYSGTES-UHFFFAOYSA-N
MW419.40 g/mol
LogP5.69
Rot. Bonds7

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

2-[3-[[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]phenyl]acetic acid (PubChem CID 58626626) has the molecular formula C22H20F3NO4 and a molecular weight of 419.40 g/mol. Its IUPAC name is 2-[3-[[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]phenyl]acetic acid
PubChem CID58626626
Molecular FormulaC22H20F3NO4
Molecular Weight419.40 g/mol
Exact Mass419.13
IUPAC Name2-[3-[[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]phenyl]acetic acid
SMILESCC(C)c1nc(-c2ccc(C(F)(F)F)cc2)oc1COc1cccc(CC(=O)O)c1
InChIInChI=1S/C22H20F3NO4/c1-13(2)20-18(12-29-17-5-3-4-14(10-17)11-19(27)28)30-21(26-20)15-6-8-16(9-7-15)22(23,24)25/h3-10,13H,11-12H2,1-2H3,(H,27,28)
InChIKeyKONNMPCIYSGTES-UHFFFAOYSA-N
XLogP5.69
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.40
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-[3-[2-[5-(2,2,2-trifluoroethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]acetic acid
CID 23125399
1-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]propan-2-one
CID 67695187
5-[[3-(chloromethyl)phenoxy]methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 69172323
2-[3-(2-fluoro-2-methylpropoxy)phenyl]acetic acid
CID 84690473
2-[3-(2,2-difluoropropoxy)phenyl]acetic acid
CID 84693368
2-[6-[[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methylsulfanyl]-1-benzofuran-3-yl]acetic acid
CID 10254346
2-[4-methyl-3-[2-[5-propyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]acetic acid
CID 23125404
[[3-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]phenyl]methyl-morpholin-4-ylsulfonylamino] acetate
CID 87798368
2-[3-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid
CID 68883980
1-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethanone
CID 10595616
ethyl 4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxylate;[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methanol
CID 86607970
2-[3-[2-[5-methyl-2-[4-(2-methylpropyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]acetic acid
CID 22169970

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]phenyl]acetic acid?
The IUPAC name of 2-[3-[[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]phenyl]acetic acid (CID 58626626) is 2-[3-[[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]phenyl]acetic acid?
The canonical SMILES for 2-[3-[[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]phenyl]acetic acid is CC(C)c1nc(-c2ccc(C(F)(F)F)cc2)oc1COc1cccc(CC(=O)O)c1.
What is the InChIKey of 2-[3-[[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]phenyl]acetic acid?
The InChIKey is KONNMPCIYSGTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3NO4/c1-13(2)20-18(12-29-17-5-3-4-14(10-17)11-19(27)28)30-21(26-20)15-6-8-16(9-7-15)22(23,24)25/h3-10,13H,11-12H2,1-2H3,(H,27,28).
What are the key properties of 2-[3-[[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]phenyl]acetic acid?
2-[3-[[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]phenyl]acetic acid has a molecular weight of 419.40 g/mol, XLogP of 5.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]phenyl]acetic acid is sourced from PubChem (CID 58626626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).