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

C18H17F3N4O2 — CID 3077461

IUPAC3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESO=c1oc2cccnc2n1CN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H17F3N4O2/c19-18(20,21)13-3-1-4-14(11-13)24-9-7-23(8-10-24)12-25-16-15(27-17(25)26)5-2-6-22-16/h1-6,11H,7-10,12H2
InChIKeyRBRJDOPXFVWFDZ-UHFFFAOYSA-N
MW378.35 g/mol
LogP2.79
Rot. Bonds3

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

3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 3077461) has the molecular formula C18H17F3N4O2 and a molecular weight of 378.35 g/mol. Its IUPAC name is 3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID3077461
Molecular FormulaC18H17F3N4O2
Molecular Weight378.35 g/mol
Exact Mass378.13
IUPAC Name3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESO=c1oc2cccnc2n1CN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H17F3N4O2/c19-18(20,21)13-3-1-4-14(11-13)24-9-7-23(8-10-24)12-25-16-15(27-17(25)26)5-2-6-22-16/h1-6,11H,7-10,12H2
InChIKeyRBRJDOPXFVWFDZ-UHFFFAOYSA-N
XLogP2.79
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one with MolForge

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Related Compounds

Pyridoimidazolone, 5e
CID 42626193
Pyridoimidazolone, 5s
CID 42626340
3-(2-ethylbenzyl)[1,3]oxazolo[4,5-b]pyridin-2(3H)-one
CID 2811801
Oxazolo(4,5-b)pyridin-2(3H)-one, 3-(3-(4-phenyl-1-piperazinyl)propyl)-
CID 126108
Oxazolo(4,5-b)pyridin-2(3H)-one, 3-((4-(2-methoxyphenyl)-1-piperazinyl)methyl)-
CID 382816
Oxazolo(4,5-b)pyridin-2(3H)-one, 3-(2-(4-(4-phenoxyphenyl)-1-piperazinyl)ethyl)-
CID 382817
S 12813
CID 3035655
3-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)oxazolo(4,5-b)pyridin-2(3H)-one
CID 3036067
Oxazolo(4,5-b)pyridin-2(3H)-one, 3-(2-(1-piperidinyl)ethyl)-
CID 3072032
Oxazolo(4,5-b)pyridin-2(3H)-one, 3-(2-(4-methyl-1-piperazinyl)ethyl)-
CID 3072033
Oxazolo(4,5-b)pyridin-2(3H)-one, 3-(2-(4-morpholinyl)ethyl)-
CID 3072034
Oxazolo(4,5-b)pyridin-2(3H)-one, 3-((4-(4-fluorophenyl)-1-piperazinyl)methyl)-
CID 3073120

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of 3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 3077461) is 3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is O=c1oc2cccnc2n1CN1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is RBRJDOPXFVWFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O2/c19-18(20,21)13-3-1-4-14(11-13)24-9-7-23(8-10-24)12-25-16-15(27-17(25)26)5-2-6-22-16/h1-6,11H,7-10,12H2.
What are the key properties of 3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 378.35 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 3077461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).