3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one

C19H19F3N4O2 — CID 3036067

IUPAC3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESO=c1oc2cccnc2n1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H19F3N4O2/c20-19(21,22)14-3-1-4-15(13-14)25-10-7-24(8-11-25)9-12-26-17-16(28-18(26)27)5-2-6-23-17/h1-6,13H,7-12H2
InChIKeyYQARSAGBQNDCCY-UHFFFAOYSA-N
MW392.38 g/mol
LogP2.83
Rot. Bonds4

About 3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one

3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 3036067) has the molecular formula C19H19F3N4O2 and a molecular weight of 392.38 g/mol. Its IUPAC name is 3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID3036067
Molecular FormulaC19H19F3N4O2
Molecular Weight392.38 g/mol
Exact Mass392.15
IUPAC Name3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESO=c1oc2cccnc2n1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H19F3N4O2/c20-19(21,22)14-3-1-4-15(13-14)25-10-7-24(8-11-25)9-12-26-17-16(28-18(26)27)5-2-6-23-17/h1-6,13H,7-12H2
InChIKeyYQARSAGBQNDCCY-UHFFFAOYSA-N
XLogP2.83
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of 3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 3036067) is 3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is O=c1oc2cccnc2n1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is YQARSAGBQNDCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2/c20-19(21,22)14-3-1-4-15(13-14)25-10-7-24(8-11-25)9-12-26-17-16(28-18(26)27)5-2-6-23-17/h1-6,13H,7-12H2.
What are the key properties of 3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 392.38 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 3036067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).