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

C16H11F3N2O5 — CID 142412709

IUPAC3-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]propanoic acid
SMILESO=C(O)CCn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21
InChIInChI=1S/C16H11F3N2O5/c17-16(18,19)26-10-3-1-9(2-4-10)11-5-6-12-14(20-11)21(15(24)25-12)8-7-13(22)23/h1-6H,7-8H2,(H,22,23)
InChIKeyOILBMVFYGXWDMK-UHFFFAOYSA-N
MW368.27 g/mol
LogP3.03
Rot. Bonds5

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

3-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]propanoic acid (PubChem CID 142412709) has the molecular formula C16H11F3N2O5 and a molecular weight of 368.27 g/mol. Its IUPAC name is 3-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]propanoic acid
PubChem CID142412709
Molecular FormulaC16H11F3N2O5
Molecular Weight368.27 g/mol
Exact Mass368.06
IUPAC Name3-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]propanoic acid
SMILESO=C(O)CCn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21
InChIInChI=1S/C16H11F3N2O5/c17-16(18,19)26-10-3-1-9(2-4-10)11-5-6-12-14(20-11)21(15(24)25-12)8-7-13(22)23/h1-6H,7-8H2,(H,22,23)
InChIKeyOILBMVFYGXWDMK-UHFFFAOYSA-N
XLogP3.03
TPSA94.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.27
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]propanoic acid?
The IUPAC name of 3-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]propanoic acid (CID 142412709) is 3-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]propanoic acid.
What is the SMILES notation for 3-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]propanoic acid?
The canonical SMILES for 3-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]propanoic acid is O=C(O)CCn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21.
What is the InChIKey of 3-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]propanoic acid?
The InChIKey is OILBMVFYGXWDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O5/c17-16(18,19)26-10-3-1-9(2-4-10)11-5-6-12-14(20-11)21(15(24)25-12)8-7-13(22)23/h1-6H,7-8H2,(H,22,23).
What are the key properties of 3-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]propanoic acid?
3-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]propanoic acid has a molecular weight of 368.27 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]propanoic acid is sourced from PubChem (CID 142412709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).