[2-[2-oxo-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-pyridinyl]-1-[3-(trifluoromethyl)phenyl]ethyl] N-ethylcarbamate

C20H16F6N4O4 — CID 145423147

IUPAC[2-[2-oxo-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-pyridinyl]-1-[3-(trifluoromethyl)phenyl]ethyl] N-ethylcarbamate
SMILESCCNC(=O)OC(Cn1ccc(-c2noc(C(F)(F)F)n2)cc1=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H16F6N4O4/c1-2-27-18(32)33-14(11-4-3-5-13(8-11)19(21,22)23)10-30-7-6-12(9-15(30)31)16-28-17(34-29-16)20(24,25)26/h3-9,14H,2,10H2,1H3,(H,27,32)
InChIKeyFNHSPJYBCWVZLC-UHFFFAOYSA-N
MW490.36 g/mol
LogP4.42
Rot. Bonds6

About [2-[2-oxo-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-pyridinyl]-1-[3-(trifluoromethyl)phenyl]ethyl] N-ethylcarbamate

[2-[2-oxo-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-pyridinyl]-1-[3-(trifluoromethyl)phenyl]ethyl] N-ethylcarbamate (PubChem CID 145423147) has the molecular formula C20H16F6N4O4 and a molecular weight of 490.36 g/mol. Its IUPAC name is [2-[2-oxo-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-pyridinyl]-1-[3-(trifluoromethyl)phenyl]ethyl] N-ethylcarbamate.

Molecular Properties

Compound Name[2-[2-oxo-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-pyridinyl]-1-[3-(trifluoromethyl)phenyl]ethyl] N-ethylcarbamate
PubChem CID145423147
Molecular FormulaC20H16F6N4O4
Molecular Weight490.36 g/mol
Exact Mass490.11
IUPAC Name[2-[2-oxo-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-pyridinyl]-1-[3-(trifluoromethyl)phenyl]ethyl] N-ethylcarbamate
SMILESCCNC(=O)OC(Cn1ccc(-c2noc(C(F)(F)F)n2)cc1=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H16F6N4O4/c1-2-27-18(32)33-14(11-4-3-5-13(8-11)19(21,22)23)10-30-7-6-12(9-15(30)31)16-28-17(34-29-16)20(24,25)26/h3-9,14H,2,10H2,1H3,(H,27,32)
InChIKeyFNHSPJYBCWVZLC-UHFFFAOYSA-N
XLogP4.42
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.36
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-morpholin-4-yl-3-oxo-2-[3-(trifluoromethyl)phenyl]propyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one
CID 147042694
1-[(3,5-dimethoxyphenyl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one
CID 145423086
1-[2-(benzimidazol-1-yl)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one
CID 145423125
1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one
CID 145423118
N-[[2-ethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]propanamide
CID 135326209
1-[(2-propan-2-yl-2,3-dihydro-1,3,4-oxadiazol-5-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one
CID 145423082
3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[3-(trifluoromethyl)phenyl]aniline
CID 175184749
N-[1-methoxy-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]propanamide
CID 140911369
1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 160570810
N-[[2-methyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-oxobutanamide
CID 137366721
(3S)-1-[2-(methylamino)-2-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyrrolidin-3-ol
CID 153135594
N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]propanamide
CID 155192602

Frequently Asked Questions

What is the IUPAC name of [2-[2-oxo-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-pyridinyl]-1-[3-(trifluoromethyl)phenyl]ethyl] N-ethylcarbamate?
The IUPAC name of [2-[2-oxo-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-pyridinyl]-1-[3-(trifluoromethyl)phenyl]ethyl] N-ethylcarbamate (CID 145423147) is [2-[2-oxo-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-pyridinyl]-1-[3-(trifluoromethyl)phenyl]ethyl] N-ethylcarbamate.
What is the SMILES notation for [2-[2-oxo-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-pyridinyl]-1-[3-(trifluoromethyl)phenyl]ethyl] N-ethylcarbamate?
The canonical SMILES for [2-[2-oxo-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-pyridinyl]-1-[3-(trifluoromethyl)phenyl]ethyl] N-ethylcarbamate is CCNC(=O)OC(Cn1ccc(-c2noc(C(F)(F)F)n2)cc1=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of [2-[2-oxo-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-pyridinyl]-1-[3-(trifluoromethyl)phenyl]ethyl] N-ethylcarbamate?
The InChIKey is FNHSPJYBCWVZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F6N4O4/c1-2-27-18(32)33-14(11-4-3-5-13(8-11)19(21,22)23)10-30-7-6-12(9-15(30)31)16-28-17(34-29-16)20(24,25)26/h3-9,14H,2,10H2,1H3,(H,27,32).
What are the key properties of [2-[2-oxo-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-pyridinyl]-1-[3-(trifluoromethyl)phenyl]ethyl] N-ethylcarbamate?
[2-[2-oxo-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-pyridinyl]-1-[3-(trifluoromethyl)phenyl]ethyl] N-ethylcarbamate has a molecular weight of 490.36 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-oxo-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-pyridinyl]-1-[3-(trifluoromethyl)phenyl]ethyl] N-ethylcarbamate is sourced from PubChem (CID 145423147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).