ethyl 2-[7-(trifluoromethyl)-1,3-benzoxazol-2-yl]acetate

C12H10F3NO3 — CID 68637594

IUPACethyl 2-[7-(trifluoromethyl)-1,3-benzoxazol-2-yl]acetate
SMILESCCOC(=O)Cc1nc2cccc(C(F)(F)F)c2o1
InChIInChI=1S/C12H10F3NO3/c1-2-18-10(17)6-9-16-8-5-3-4-7(11(8)19-9)12(13,14)15/h3-5H,2,6H2,1H3
InChIKeyRUDOJNINTLIBQE-UHFFFAOYSA-N
MW273.21 g/mol
LogP2.95
Rot. Bonds3

About ethyl 2-[7-(trifluoromethyl)-1,3-benzoxazol-2-yl]acetate

ethyl 2-[7-(trifluoromethyl)-1,3-benzoxazol-2-yl]acetate (PubChem CID 68637594) has the molecular formula C12H10F3NO3 and a molecular weight of 273.21 g/mol. Its IUPAC name is ethyl 2-[7-(trifluoromethyl)-1,3-benzoxazol-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[7-(trifluoromethyl)-1,3-benzoxazol-2-yl]acetate
PubChem CID68637594
Molecular FormulaC12H10F3NO3
Molecular Weight273.21 g/mol
Exact Mass273.06
IUPAC Nameethyl 2-[7-(trifluoromethyl)-1,3-benzoxazol-2-yl]acetate
SMILESCCOC(=O)Cc1nc2cccc(C(F)(F)F)c2o1
InChIInChI=1S/C12H10F3NO3/c1-2-18-10(17)6-9-16-8-5-3-4-7(11(8)19-9)12(13,14)15/h3-5H,2,6H2,1H3
InChIKeyRUDOJNINTLIBQE-UHFFFAOYSA-N
XLogP2.95
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[7-(trifluoromethyl)-1,3-benzoxazol-2-yl]acetate 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-hydroxy-1,3-benzoxazol-2-yl)acetate
CID 102591089
2-[7-(trifluoromethyl)-1,3-benzoxazol-2-yl]acetic acid
CID 68637450
2-(chloromethyl)-7-(trifluoromethyl)-1,3-benzoxazole
CID 118848522
ethyl 1-methyl-2-[[7-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxylate
CID 155083554
ethyl 2-[6-bromo-3-(trifluoromethyl)-2-pyridinyl]acetate
CID 133097922
ethyl (3R)-3-amino-3-[2-(trifluoromethyl)phenyl]propanoate
CID 29059632
ethyl 2-(5-benzyl-1,3,4-oxadiazol-2-yl)acetate
CID 164897034
ethyl 2-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetate
CID 80573515
ethyl 2-[4-chloro-2-(trifluoromethyl)phenyl]acetate
CID 53419399
ethyl 2-(6,7-difluoro-4-oxo-3,1-benzoxazin-2-yl)acetate
CID 166442832
ethyl 2-(4,5-dimethyl-1,3-oxazol-2-yl)acetate
CID 164562691
ethyl 2-[3-methyl-2-(trifluoromethyl)phenyl]acetate
CID 134633126

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[7-(trifluoromethyl)-1,3-benzoxazol-2-yl]acetate?
The IUPAC name of ethyl 2-[7-(trifluoromethyl)-1,3-benzoxazol-2-yl]acetate (CID 68637594) is ethyl 2-[7-(trifluoromethyl)-1,3-benzoxazol-2-yl]acetate.
What is the SMILES notation for ethyl 2-[7-(trifluoromethyl)-1,3-benzoxazol-2-yl]acetate?
The canonical SMILES for ethyl 2-[7-(trifluoromethyl)-1,3-benzoxazol-2-yl]acetate is CCOC(=O)Cc1nc2cccc(C(F)(F)F)c2o1.
What is the InChIKey of ethyl 2-[7-(trifluoromethyl)-1,3-benzoxazol-2-yl]acetate?
The InChIKey is RUDOJNINTLIBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO3/c1-2-18-10(17)6-9-16-8-5-3-4-7(11(8)19-9)12(13,14)15/h3-5H,2,6H2,1H3.
What are the key properties of ethyl 2-[7-(trifluoromethyl)-1,3-benzoxazol-2-yl]acetate?
ethyl 2-[7-(trifluoromethyl)-1,3-benzoxazol-2-yl]acetate has a molecular weight of 273.21 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[7-(trifluoromethyl)-1,3-benzoxazol-2-yl]acetate is sourced from PubChem (CID 68637594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).