2-[7-(trifluoromethyl)-1,3-benzoxazol-2-yl]acetic acid

C10H6F3NO3 — CID 68637450

IUPAC2-[7-(trifluoromethyl)-1,3-benzoxazol-2-yl]acetic acid
SMILESO=C(O)Cc1nc2cccc(C(F)(F)F)c2o1
InChIInChI=1S/C10H6F3NO3/c11-10(12,13)5-2-1-3-6-9(5)17-7(14-6)4-8(15)16/h1-3H,4H2,(H,15,16)
InChIKeyWRHRLLLCZIXUBU-UHFFFAOYSA-N
MW245.16 g/mol
LogP2.47
Rot. Bonds2

About 2-[7-(trifluoromethyl)-1,3-benzoxazol-2-yl]acetic acid

2-[7-(trifluoromethyl)-1,3-benzoxazol-2-yl]acetic acid (PubChem CID 68637450) has the molecular formula C10H6F3NO3 and a molecular weight of 245.16 g/mol. Its IUPAC name is 2-[7-(trifluoromethyl)-1,3-benzoxazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[7-(trifluoromethyl)-1,3-benzoxazol-2-yl]acetic acid
PubChem CID68637450
Molecular FormulaC10H6F3NO3
Molecular Weight245.16 g/mol
Exact Mass245.03
IUPAC Name2-[7-(trifluoromethyl)-1,3-benzoxazol-2-yl]acetic acid
SMILESO=C(O)Cc1nc2cccc(C(F)(F)F)c2o1
InChIInChI=1S/C10H6F3NO3/c11-10(12,13)5-2-1-3-6-9(5)17-7(14-6)4-8(15)16/h1-3H,4H2,(H,15,16)
InChIKeyWRHRLLLCZIXUBU-UHFFFAOYSA-N
XLogP2.47
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.16
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[7-(trifluoromethyl)-1,3-benzoxazol-2-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[7-(trifluoromethyl)-1,3-benzoxazol-2-yl]acetate
CID 68637594
2-(chloromethyl)-7-(trifluoromethyl)-1,3-benzoxazole
CID 118848522
(E)-3-[2-(carboxymethyl)-1,3-benzoxazol-7-yl]prop-2-enoic acid
CID 118825874
methanol;2-[2-(trifluoromethyl)phenyl]acetic acid
CID 70254547
2-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]acetic acid
CID 115081827
N-[N'-[7-(trifluoromethyl)-1,3-benzoxazol-2-yl]carbamimidoyl]cyclopropanecarboxamide
CID 72526948
5-[7-(trifluoromethyl)-1-benzofuran-2-yl]-1H-pyrazole-3-carboxylic acid
CID 115109779
2-[(4-fluorophenyl)methyl]-1,3-benzoxazole-7-carboxylic acid
CID 81345728
(2-benzyl-1,3-benzoxazol-7-yl)methanol
CID 76851596
2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxylic acid
CID 115084002
ethyl 2-(7-hydroxy-1,3-benzoxazol-2-yl)acetate
CID 102591089
2-(trifluoromethyl)-1,3-benzoxazol-7-ol
CID 84671213

Frequently Asked Questions

What is the IUPAC name of 2-[7-(trifluoromethyl)-1,3-benzoxazol-2-yl]acetic acid?
The IUPAC name of 2-[7-(trifluoromethyl)-1,3-benzoxazol-2-yl]acetic acid (CID 68637450) is 2-[7-(trifluoromethyl)-1,3-benzoxazol-2-yl]acetic acid.
What is the SMILES notation for 2-[7-(trifluoromethyl)-1,3-benzoxazol-2-yl]acetic acid?
The canonical SMILES for 2-[7-(trifluoromethyl)-1,3-benzoxazol-2-yl]acetic acid is O=C(O)Cc1nc2cccc(C(F)(F)F)c2o1.
What is the InChIKey of 2-[7-(trifluoromethyl)-1,3-benzoxazol-2-yl]acetic acid?
The InChIKey is WRHRLLLCZIXUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NO3/c11-10(12,13)5-2-1-3-6-9(5)17-7(14-6)4-8(15)16/h1-3H,4H2,(H,15,16).
What are the key properties of 2-[7-(trifluoromethyl)-1,3-benzoxazol-2-yl]acetic acid?
2-[7-(trifluoromethyl)-1,3-benzoxazol-2-yl]acetic acid has a molecular weight of 245.16 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(trifluoromethyl)-1,3-benzoxazol-2-yl]acetic acid is sourced from PubChem (CID 68637450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).