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

C15H11F3N2O3 — CID 71973389

IUPAC3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESO=c1oc2cccnc2n1Cc1ccccc1OCC(F)(F)F
InChIInChI=1S/C15H11F3N2O3/c16-15(17,18)9-22-11-5-2-1-4-10(11)8-20-13-12(23-14(20)21)6-3-7-19-13/h1-7H,8-9H2
InChIKeyDWTBVYCYMMMSMD-UHFFFAOYSA-N
MW324.26 g/mol
LogP2.98
Rot. Bonds4

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

3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 71973389) has the molecular formula C15H11F3N2O3 and a molecular weight of 324.26 g/mol. Its IUPAC name is 3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID71973389
Molecular FormulaC15H11F3N2O3
Molecular Weight324.26 g/mol
Exact Mass324.07
IUPAC Name3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESO=c1oc2cccnc2n1Cc1ccccc1OCC(F)(F)F
InChIInChI=1S/C15H11F3N2O3/c16-15(17,18)9-22-11-5-2-1-4-10(11)8-20-13-12(23-14(20)21)6-3-7-19-13/h1-7H,8-9H2
InChIKeyDWTBVYCYMMMSMD-UHFFFAOYSA-N
XLogP2.98
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of 3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 71973389) is 3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is O=c1oc2cccnc2n1Cc1ccccc1OCC(F)(F)F.
What is the InChIKey of 3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is DWTBVYCYMMMSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O3/c16-15(17,18)9-22-11-5-2-1-4-10(11)8-20-13-12(23-14(20)21)6-3-7-19-13/h1-7H,8-9H2.
What are the key properties of 3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 324.26 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 71973389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).