4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-3-(trifluoromethyl)benzoic acid

C13H10F3NO4 — CID 63320749

IUPAC4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-3-(trifluoromethyl)benzoic acid
SMILESCc1cc(COc2ccc(C(=O)O)cc2C(F)(F)F)no1
InChIInChI=1S/C13H10F3NO4/c1-7-4-9(17-21-7)6-20-11-3-2-8(12(18)19)5-10(11)13(14,15)16/h2-5H,6H2,1H3,(H,18,19)
InChIKeyZGQKAFFNEIYRMY-UHFFFAOYSA-N
MW301.22 g/mol
LogP3.28
Rot. Bonds4

About 4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-3-(trifluoromethyl)benzoic acid

4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-3-(trifluoromethyl)benzoic acid (PubChem CID 63320749) has the molecular formula C13H10F3NO4 and a molecular weight of 301.22 g/mol. Its IUPAC name is 4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-3-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-3-(trifluoromethyl)benzoic acid
PubChem CID63320749
Molecular FormulaC13H10F3NO4
Molecular Weight301.22 g/mol
Exact Mass301.06
IUPAC Name4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-3-(trifluoromethyl)benzoic acid
SMILESCc1cc(COc2ccc(C(=O)O)cc2C(F)(F)F)no1
InChIInChI=1S/C13H10F3NO4/c1-7-4-9(17-21-7)6-20-11-3-2-8(12(18)19)5-10(11)13(14,15)16/h2-5H,6H2,1H3,(H,18,19)
InChIKeyZGQKAFFNEIYRMY-UHFFFAOYSA-N
XLogP3.28
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]benzoic acid
CID 45293842
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-3-(trifluoromethyl)benzoic acid
CID 63320135
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-3-(trifluoromethyl)benzoic acid
CID 63320748
4-(1,2,4-oxadiazol-3-ylmethoxy)-3-(trifluoromethyl)benzoic acid
CID 63320136
4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1-benzofuran-6-carboxylic acid
CID 69357116
[4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]-phenylmethanone
CID 9137989
4-(3-methoxypropoxy)-3-(trifluoromethyl)benzoic acid
CID 55206438
4-(2-hydroxybutoxy)-3-(trifluoromethyl)benzoic acid
CID 63320571
3-[(2-bromo-4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole
CID 28782461
3-[(2-ethylphenoxy)methyl]-5-methyl-1,2-oxazole
CID 60673786
(1S)-1-[3-methoxy-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanol
CID 78931662
4-fluoro-3-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]benzoic acid
CID 43323646

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-3-(trifluoromethyl)benzoic acid?
The IUPAC name of 4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-3-(trifluoromethyl)benzoic acid (CID 63320749) is 4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-3-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-3-(trifluoromethyl)benzoic acid?
The canonical SMILES for 4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-3-(trifluoromethyl)benzoic acid is Cc1cc(COc2ccc(C(=O)O)cc2C(F)(F)F)no1.
What is the InChIKey of 4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-3-(trifluoromethyl)benzoic acid?
The InChIKey is ZGQKAFFNEIYRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO4/c1-7-4-9(17-21-7)6-20-11-3-2-8(12(18)19)5-10(11)13(14,15)16/h2-5H,6H2,1H3,(H,18,19).
What are the key properties of 4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-3-(trifluoromethyl)benzoic acid?
4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-3-(trifluoromethyl)benzoic acid has a molecular weight of 301.22 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-3-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 63320749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).