2-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetic acid

C15H9F3N2O5 — CID 135304352

IUPAC2-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetic acid
SMILESO=C(O)Cn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21
InChIInChI=1S/C15H9F3N2O5/c16-15(17,18)25-9-3-1-8(2-4-9)10-5-6-11-13(19-10)20(7-12(21)22)14(23)24-11/h1-6H,7H2,(H,21,22)
InChIKeyHDFTVPNEAZQMBG-UHFFFAOYSA-N
MW354.24 g/mol
LogP2.64
Rot. Bonds4

About 2-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetic acid

2-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetic acid (PubChem CID 135304352) has the molecular formula C15H9F3N2O5 and a molecular weight of 354.24 g/mol. Its IUPAC name is 2-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetic acid
PubChem CID135304352
Molecular FormulaC15H9F3N2O5
Molecular Weight354.24 g/mol
Exact Mass354.05
IUPAC Name2-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetic acid
SMILESO=C(O)Cn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21
InChIInChI=1S/C15H9F3N2O5/c16-15(17,18)25-9-3-1-8(2-4-9)10-5-6-11-13(19-10)20(7-12(21)22)14(23)24-11/h1-6H,7H2,(H,21,22)
InChIKeyHDFTVPNEAZQMBG-UHFFFAOYSA-N
XLogP2.64
TPSA94.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-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

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetic acid?
The IUPAC name of 2-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetic acid (CID 135304352) is 2-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetic acid.
What is the SMILES notation for 2-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetic acid?
The canonical SMILES for 2-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetic acid is O=C(O)Cn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21.
What is the InChIKey of 2-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetic acid?
The InChIKey is HDFTVPNEAZQMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O5/c16-15(17,18)25-9-3-1-8(2-4-9)10-5-6-11-13(19-10)20(7-12(21)22)14(23)24-11/h1-6H,7H2,(H,21,22).
What are the key properties of 2-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetic acid?
2-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetic acid has a molecular weight of 354.24 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetic acid is sourced from PubChem (CID 135304352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).