2-[2-(4-methyl-1,3-oxazol-2-yl)-4-(trifluoromethyl)phenoxy]-2-phenylacetic acid

C19H14F3NO4 — CID 23540496

IUPAC2-[2-(4-methyl-1,3-oxazol-2-yl)-4-(trifluoromethyl)phenoxy]-2-phenylacetic acid
SMILESCc1coc(-c2cc(C(F)(F)F)ccc2OC(C(=O)O)c2ccccc2)n1
InChIInChI=1S/C19H14F3NO4/c1-11-10-26-17(23-11)14-9-13(19(20,21)22)7-8-15(14)27-16(18(24)25)12-5-3-2-4-6-12/h2-10,16H,1H3,(H,24,25)
InChIKeySXUXIIMKSABXGV-UHFFFAOYSA-N
MW377.32 g/mol
LogP4.87
Rot. Bonds5

About 2-[2-(4-methyl-1,3-oxazol-2-yl)-4-(trifluoromethyl)phenoxy]-2-phenylacetic acid

2-[2-(4-methyl-1,3-oxazol-2-yl)-4-(trifluoromethyl)phenoxy]-2-phenylacetic acid (PubChem CID 23540496) has the molecular formula C19H14F3NO4 and a molecular weight of 377.32 g/mol. Its IUPAC name is 2-[2-(4-methyl-1,3-oxazol-2-yl)-4-(trifluoromethyl)phenoxy]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[2-(4-methyl-1,3-oxazol-2-yl)-4-(trifluoromethyl)phenoxy]-2-phenylacetic acid
PubChem CID23540496
Molecular FormulaC19H14F3NO4
Molecular Weight377.32 g/mol
Exact Mass377.09
IUPAC Name2-[2-(4-methyl-1,3-oxazol-2-yl)-4-(trifluoromethyl)phenoxy]-2-phenylacetic acid
SMILESCc1coc(-c2cc(C(F)(F)F)ccc2OC(C(=O)O)c2ccccc2)n1
InChIInChI=1S/C19H14F3NO4/c1-11-10-26-17(23-11)14-9-13(19(20,21)22)7-8-15(14)27-16(18(24)25)12-5-3-2-4-6-12/h2-10,16H,1H3,(H,24,25)
InChIKeySXUXIIMKSABXGV-UHFFFAOYSA-N
XLogP4.87
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methyl-1,3-oxazol-2-yl)-4-(trifluoromethyl)phenoxy]-2-phenylacetic acid?
The IUPAC name of 2-[2-(4-methyl-1,3-oxazol-2-yl)-4-(trifluoromethyl)phenoxy]-2-phenylacetic acid (CID 23540496) is 2-[2-(4-methyl-1,3-oxazol-2-yl)-4-(trifluoromethyl)phenoxy]-2-phenylacetic acid.
What is the SMILES notation for 2-[2-(4-methyl-1,3-oxazol-2-yl)-4-(trifluoromethyl)phenoxy]-2-phenylacetic acid?
The canonical SMILES for 2-[2-(4-methyl-1,3-oxazol-2-yl)-4-(trifluoromethyl)phenoxy]-2-phenylacetic acid is Cc1coc(-c2cc(C(F)(F)F)ccc2OC(C(=O)O)c2ccccc2)n1.
What is the InChIKey of 2-[2-(4-methyl-1,3-oxazol-2-yl)-4-(trifluoromethyl)phenoxy]-2-phenylacetic acid?
The InChIKey is SXUXIIMKSABXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO4/c1-11-10-26-17(23-11)14-9-13(19(20,21)22)7-8-15(14)27-16(18(24)25)12-5-3-2-4-6-12/h2-10,16H,1H3,(H,24,25).
What are the key properties of 2-[2-(4-methyl-1,3-oxazol-2-yl)-4-(trifluoromethyl)phenoxy]-2-phenylacetic acid?
2-[2-(4-methyl-1,3-oxazol-2-yl)-4-(trifluoromethyl)phenoxy]-2-phenylacetic acid has a molecular weight of 377.32 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methyl-1,3-oxazol-2-yl)-4-(trifluoromethyl)phenoxy]-2-phenylacetic acid is sourced from PubChem (CID 23540496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).