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

C13H7F3N2O3 — CID 135304343

IUPAC5-[4-(trifluoromethoxy)phenyl]-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2nc(-c3ccc(OC(F)(F)F)cc3)ccc2o1
InChIInChI=1S/C13H7F3N2O3/c14-13(15,16)21-8-3-1-7(2-4-8)9-5-6-10-11(17-9)18-12(19)20-10/h1-6H,(H,17,18,19)
InChIKeyZHLVZSNAHMMRKN-UHFFFAOYSA-N
MW296.20 g/mol
LogP3.08
Rot. Bonds2

About 5-[4-(trifluoromethoxy)phenyl]-3H-[1,3]oxazolo[4,5-b]pyridin-2-one

5-[4-(trifluoromethoxy)phenyl]-3H-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 135304343) has the molecular formula C13H7F3N2O3 and a molecular weight of 296.20 g/mol. Its IUPAC name is 5-[4-(trifluoromethoxy)phenyl]-3H-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name5-[4-(trifluoromethoxy)phenyl]-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID135304343
Molecular FormulaC13H7F3N2O3
Molecular Weight296.20 g/mol
Exact Mass296.04
IUPAC Name5-[4-(trifluoromethoxy)phenyl]-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2nc(-c3ccc(OC(F)(F)F)cc3)ccc2o1
InChIInChI=1S/C13H7F3N2O3/c14-13(15,16)21-8-3-1-7(2-4-8)9-5-6-10-11(17-9)18-12(19)20-10/h1-6H,(H,17,18,19)
InChIKeyZHLVZSNAHMMRKN-UHFFFAOYSA-N
XLogP3.08
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(trifluoromethoxy)phenyl]-3H-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of 5-[4-(trifluoromethoxy)phenyl]-3H-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 135304343) is 5-[4-(trifluoromethoxy)phenyl]-3H-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 5-[4-(trifluoromethoxy)phenyl]-3H-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 5-[4-(trifluoromethoxy)phenyl]-3H-[1,3]oxazolo[4,5-b]pyridin-2-one is O=c1[nH]c2nc(-c3ccc(OC(F)(F)F)cc3)ccc2o1.
What is the InChIKey of 5-[4-(trifluoromethoxy)phenyl]-3H-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is ZHLVZSNAHMMRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3N2O3/c14-13(15,16)21-8-3-1-7(2-4-8)9-5-6-10-11(17-9)18-12(19)20-10/h1-6H,(H,17,18,19).
What are the key properties of 5-[4-(trifluoromethoxy)phenyl]-3H-[1,3]oxazolo[4,5-b]pyridin-2-one?
5-[4-(trifluoromethoxy)phenyl]-3H-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 296.20 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(trifluoromethoxy)phenyl]-3H-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 135304343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).