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

C20H18F3N3O4 — CID 142412662

IUPAC3-(2-oxo-2-piperidin-1-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESO=C(Cn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21)N1CCCCC1
InChIInChI=1S/C20H18F3N3O4/c21-20(22,23)30-14-6-4-13(5-7-14)15-8-9-16-18(24-15)26(19(28)29-16)12-17(27)25-10-2-1-3-11-25/h4-9H,1-3,10-12H2
InChIKeyACEHTHLMWDMOET-UHFFFAOYSA-N
MW421.38 g/mol
LogP3.57
Rot. Bonds4

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

3-(2-oxo-2-piperidin-1-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 142412662) has the molecular formula C20H18F3N3O4 and a molecular weight of 421.38 g/mol. Its IUPAC name is 3-(2-oxo-2-piperidin-1-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-(2-oxo-2-piperidin-1-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID142412662
Molecular FormulaC20H18F3N3O4
Molecular Weight421.38 g/mol
Exact Mass421.12
IUPAC Name3-(2-oxo-2-piperidin-1-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESO=C(Cn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21)N1CCCCC1
InChIInChI=1S/C20H18F3N3O4/c21-20(22,23)30-14-6-4-13(5-7-14)15-8-9-16-18(24-15)26(19(28)29-16)12-17(27)25-10-2-1-3-11-25/h4-9H,1-3,10-12H2
InChIKeyACEHTHLMWDMOET-UHFFFAOYSA-N
XLogP3.57
TPSA77.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.38
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-2-piperidin-1-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of 3-(2-oxo-2-piperidin-1-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 142412662) is 3-(2-oxo-2-piperidin-1-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-(2-oxo-2-piperidin-1-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-(2-oxo-2-piperidin-1-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is O=C(Cn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21)N1CCCCC1.
What is the InChIKey of 3-(2-oxo-2-piperidin-1-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is ACEHTHLMWDMOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O4/c21-20(22,23)30-14-6-4-13(5-7-14)15-8-9-16-18(24-15)26(19(28)29-16)12-17(27)25-10-2-1-3-11-25/h4-9H,1-3,10-12H2.
What are the key properties of 3-(2-oxo-2-piperidin-1-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
3-(2-oxo-2-piperidin-1-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 421.38 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-2-piperidin-1-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 142412662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).