[2-(4-ethyl-5-methyl-1,3-oxazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(2,2,2-trifluoroethyl)-3-pyridinyl]methanone

C20H23F3N4O2 — CID 121427993

IUPAC[2-(4-ethyl-5-methyl-1,3-oxazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(2,2,2-trifluoroethyl)-3-pyridinyl]methanone
SMILESCCc1nc(N2CC3CN(C(=O)c4cccnc4CC(F)(F)F)CC3C2)oc1C
InChIInChI=1S/C20H23F3N4O2/c1-3-16-12(2)29-19(25-16)27-10-13-8-26(9-14(13)11-27)18(28)15-5-4-6-24-17(15)7-20(21,22)23/h4-6,13-14H,3,7-11H2,1-2H3
InChIKeySVPWLOCWGJHUEZ-UHFFFAOYSA-N
MW408.42 g/mol
LogP3.25
Rot. Bonds4

About [2-(4-ethyl-5-methyl-1,3-oxazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(2,2,2-trifluoroethyl)-3-pyridinyl]methanone

[2-(4-ethyl-5-methyl-1,3-oxazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(2,2,2-trifluoroethyl)-3-pyridinyl]methanone (PubChem CID 121427993) has the molecular formula C20H23F3N4O2 and a molecular weight of 408.42 g/mol. Its IUPAC name is [2-(4-ethyl-5-methyl-1,3-oxazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(2,2,2-trifluoroethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[2-(4-ethyl-5-methyl-1,3-oxazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(2,2,2-trifluoroethyl)-3-pyridinyl]methanone
PubChem CID121427993
Molecular FormulaC20H23F3N4O2
Molecular Weight408.42 g/mol
Exact Mass408.18
IUPAC Name[2-(4-ethyl-5-methyl-1,3-oxazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(2,2,2-trifluoroethyl)-3-pyridinyl]methanone
SMILESCCc1nc(N2CC3CN(C(=O)c4cccnc4CC(F)(F)F)CC3C2)oc1C
InChIInChI=1S/C20H23F3N4O2/c1-3-16-12(2)29-19(25-16)27-10-13-8-26(9-14(13)11-27)18(28)15-5-4-6-24-17(15)7-20(21,22)23/h4-6,13-14H,3,7-11H2,1-2H3
InChIKeySVPWLOCWGJHUEZ-UHFFFAOYSA-N
XLogP3.25
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(4-ethyl-5-methyl-1,3-oxazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(2,2,2-trifluoroethyl)-3-pyridinyl]methanone with MolForge

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Related Compounds

[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(2,2,2-trifluoroethyl)phenyl]methanone
CID 121412852
[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 121427945
(2-cyclobutylphenyl)-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
CID 121412847
[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone
CID 126818111
[(3aS,6aR)-2-(pyridin-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(5-methyl-1,2-oxazol-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 171692935
[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-fluorophenyl)methanone
CID 52917242
[2-[(3S)-3-amino-3-phenylpropyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-methyl-3-pyridinyl)methanone
CID 69149237
[2-[4,6-bis(trideuteriomethyl)pyrimidin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone
CID 71470714
[2-(2-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 67116596
[2-(6-chloro-1,3-benzoxazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 129179536
(2,6-dimethylmorpholin-4-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 134016503
[(1S,5R)-8-hydroxy-3-azabicyclo[3.2.1]octan-3-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 86286766

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethyl-5-methyl-1,3-oxazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(2,2,2-trifluoroethyl)-3-pyridinyl]methanone?
The IUPAC name of [2-(4-ethyl-5-methyl-1,3-oxazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(2,2,2-trifluoroethyl)-3-pyridinyl]methanone (CID 121427993) is [2-(4-ethyl-5-methyl-1,3-oxazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(2,2,2-trifluoroethyl)-3-pyridinyl]methanone.
What is the SMILES notation for [2-(4-ethyl-5-methyl-1,3-oxazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(2,2,2-trifluoroethyl)-3-pyridinyl]methanone?
The canonical SMILES for [2-(4-ethyl-5-methyl-1,3-oxazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(2,2,2-trifluoroethyl)-3-pyridinyl]methanone is CCc1nc(N2CC3CN(C(=O)c4cccnc4CC(F)(F)F)CC3C2)oc1C.
What is the InChIKey of [2-(4-ethyl-5-methyl-1,3-oxazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(2,2,2-trifluoroethyl)-3-pyridinyl]methanone?
The InChIKey is SVPWLOCWGJHUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O2/c1-3-16-12(2)29-19(25-16)27-10-13-8-26(9-14(13)11-27)18(28)15-5-4-6-24-17(15)7-20(21,22)23/h4-6,13-14H,3,7-11H2,1-2H3.
What are the key properties of [2-(4-ethyl-5-methyl-1,3-oxazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(2,2,2-trifluoroethyl)-3-pyridinyl]methanone?
[2-(4-ethyl-5-methyl-1,3-oxazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(2,2,2-trifluoroethyl)-3-pyridinyl]methanone has a molecular weight of 408.42 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethyl-5-methyl-1,3-oxazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(2,2,2-trifluoroethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 121427993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).