1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-2-one

C24H20F3N5O4 — CID 73331792

IUPAC1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-2-one
SMILESO=c1ccc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)cn1Cc1ccnc(N2CCOCC2)c1
InChIInChI=1S/C24H20F3N5O4/c25-24(26,27)35-19-4-1-17(2-5-19)22-29-23(36-30-22)18-3-6-21(33)32(15-18)14-16-7-8-28-20(13-16)31-9-11-34-12-10-31/h1-8,13,15H,9-12,14H2
InChIKeyFDGRIMBGIHWRLZ-UHFFFAOYSA-N
MW499.45 g/mol
LogP3.74
Rot. Bonds6

About 1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-2-one

1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-2-one (PubChem CID 73331792) has the molecular formula C24H20F3N5O4 and a molecular weight of 499.45 g/mol. Its IUPAC name is 1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-2-one
PubChem CID73331792
Molecular FormulaC24H20F3N5O4
Molecular Weight499.45 g/mol
Exact Mass499.15
IUPAC Name1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-2-one
SMILESO=c1ccc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)cn1Cc1ccnc(N2CCOCC2)c1
InChIInChI=1S/C24H20F3N5O4/c25-24(26,27)35-19-4-1-17(2-5-19)22-29-23(36-30-22)18-3-6-21(33)32(15-18)14-16-7-8-28-20(13-16)31-9-11-34-12-10-31/h1-8,13,15H,9-12,14H2
InChIKeyFDGRIMBGIHWRLZ-UHFFFAOYSA-N
XLogP3.74
TPSA95.51 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.45
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

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1-(2-Amino-4-pyridinyl)-3-[3-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pentyl]imidazolidin-2-one
CID 155529831
1-[3-Methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pentyl]-3-(4-pyridyl)imidazolidin-2-one
CID 5278487
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CID 71663845
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1,3-Dimethyl-5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione
CID 3717942
(E)-3-[4-(3-fluoropropoxy)phenyl]-N-[2-(4-pyridinyl)-4-pyrimidinyl]-2-propenamide
CID 5899277
5-(4-Methoxyphenyl)-1-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-6-pyridin-4-ylpyridin-2-one
CID 10872449
3-(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)-5-(4-methoxyphenyl)-1-methyl-6-pyridin-4-ylpyridin-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-2-one?
The IUPAC name of 1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-2-one (CID 73331792) is 1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-2-one.
What is the SMILES notation for 1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-2-one?
The canonical SMILES for 1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-2-one is O=c1ccc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)cn1Cc1ccnc(N2CCOCC2)c1.
What is the InChIKey of 1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-2-one?
The InChIKey is FDGRIMBGIHWRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O4/c25-24(26,27)35-19-4-1-17(2-5-19)22-29-23(36-30-22)18-3-6-21(33)32(15-18)14-16-7-8-28-20(13-16)31-9-11-34-12-10-31/h1-8,13,15H,9-12,14H2.
What are the key properties of 1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-2-one?
1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-2-one has a molecular weight of 499.45 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-2-one is sourced from PubChem (CID 73331792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).