5-[[4-(trifluoromethyl)phenyl]methoxymethyl]-1,2-oxazole-3-carboxylic acid

C13H10F3NO4 — CID 90325815

IUPAC5-[[4-(trifluoromethyl)phenyl]methoxymethyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(COCc2ccc(C(F)(F)F)cc2)on1
InChIInChI=1S/C13H10F3NO4/c14-13(15,16)9-3-1-8(2-4-9)6-20-7-10-5-11(12(18)19)17-21-10/h1-5H,6-7H2,(H,18,19)
InChIKeyNXPMSZOVSFVYQT-UHFFFAOYSA-N
MW301.22 g/mol
LogP3.11
Rot. Bonds5

About 5-[[4-(trifluoromethyl)phenyl]methoxymethyl]-1,2-oxazole-3-carboxylic acid

5-[[4-(trifluoromethyl)phenyl]methoxymethyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 90325815) has the molecular formula C13H10F3NO4 and a molecular weight of 301.22 g/mol. Its IUPAC name is 5-[[4-(trifluoromethyl)phenyl]methoxymethyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[[4-(trifluoromethyl)phenyl]methoxymethyl]-1,2-oxazole-3-carboxylic acid
PubChem CID90325815
Molecular FormulaC13H10F3NO4
Molecular Weight301.22 g/mol
Exact Mass301.06
IUPAC Name5-[[4-(trifluoromethyl)phenyl]methoxymethyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(COCc2ccc(C(F)(F)F)cc2)on1
InChIInChI=1S/C13H10F3NO4/c14-13(15,16)9-3-1-8(2-4-9)6-20-7-10-5-11(12(18)19)17-21-10/h1-5H,6-7H2,(H,18,19)
InChIKeyNXPMSZOVSFVYQT-UHFFFAOYSA-N
XLogP3.11
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-phenylphenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid
CID 118536656
5-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]-1,2-oxazole-3-carboxylic acid
CID 11231947
5-[(3-chloro-5-fluorophenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid
CID 90325816
3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-5-[[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazole
CID 142762879
2-[[4-(trifluoromethyl)phenyl]methoxy]acetic acid
CID 69381817
5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2-oxazole-3-carboxylic acid
CID 102721456
5-[[2-amino-4-(trifluoromethyl)phenyl]sulfanylmethyl]-1,2-oxazole-3-carboxylic acid
CID 61397371
5-(propoxymethyl)-1,2-oxazole-3-carboxylic acid
CID 61397567
5-[[4-(trifluoromethoxy)phenoxy]methyl]-1,2-oxazole-3-carboxylic acid
CID 90325843
5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid
CID 61397623
5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1,2-oxazole-3-carboxylic acid
CID 112586972
1-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanone
CID 53254076

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(trifluoromethyl)phenyl]methoxymethyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[[4-(trifluoromethyl)phenyl]methoxymethyl]-1,2-oxazole-3-carboxylic acid (CID 90325815) is 5-[[4-(trifluoromethyl)phenyl]methoxymethyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[[4-(trifluoromethyl)phenyl]methoxymethyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[[4-(trifluoromethyl)phenyl]methoxymethyl]-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(COCc2ccc(C(F)(F)F)cc2)on1.
What is the InChIKey of 5-[[4-(trifluoromethyl)phenyl]methoxymethyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is NXPMSZOVSFVYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO4/c14-13(15,16)9-3-1-8(2-4-9)6-20-7-10-5-11(12(18)19)17-21-10/h1-5H,6-7H2,(H,18,19).
What are the key properties of 5-[[4-(trifluoromethyl)phenyl]methoxymethyl]-1,2-oxazole-3-carboxylic acid?
5-[[4-(trifluoromethyl)phenyl]methoxymethyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 301.22 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(trifluoromethyl)phenyl]methoxymethyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 90325815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).