2-methyl-4-[[5-[3-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-oxazole

C17H19F3N4O — CID 155974323

IUPAC2-methyl-4-[[5-[3-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-oxazole
SMILESCc1nc(CN2CC3CN(c4ncccc4C(F)(F)F)CC3C2)co1
InChIInChI=1S/C17H19F3N4O/c1-11-22-14(10-25-11)9-23-5-12-7-24(8-13(12)6-23)16-15(17(18,19)20)3-2-4-21-16/h2-4,10,12-13H,5-9H2,1H3
InChIKeyVMAKXSKAYFJXBV-UHFFFAOYSA-N
MW352.36 g/mol
LogP2.97
Rot. Bonds3

About 2-methyl-4-[[5-[3-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-oxazole

2-methyl-4-[[5-[3-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-oxazole (PubChem CID 155974323) has the molecular formula C17H19F3N4O and a molecular weight of 352.36 g/mol. Its IUPAC name is 2-methyl-4-[[5-[3-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-methyl-4-[[5-[3-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-oxazole
PubChem CID155974323
Molecular FormulaC17H19F3N4O
Molecular Weight352.36 g/mol
Exact Mass352.15
IUPAC Name2-methyl-4-[[5-[3-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-oxazole
SMILESCc1nc(CN2CC3CN(c4ncccc4C(F)(F)F)CC3C2)co1
InChIInChI=1S/C17H19F3N4O/c1-11-22-14(10-25-11)9-23-5-12-7-24(8-13(12)6-23)16-15(17(18,19)20)3-2-4-21-16/h2-4,10,12-13H,5-9H2,1H3
InChIKeyVMAKXSKAYFJXBV-UHFFFAOYSA-N
XLogP2.97
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-4-[[5-[3-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-oxazole with MolForge

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Related Compounds

2-methyl-4-[[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-oxazole
CID 126934088
4-[[5-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-2-methyl-1,3-oxazole
CID 155941681
(3aR,6aS)-5-[3-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 114042570
2-methyl-4-[[5-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-oxazole
CID 126931815
2-methyl-4-[[3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 122154194
(3S,4S)-4-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
CID 122063982
2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole
CID 126900310
2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine
CID 63388486
2-[2-[3-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[1,3]thiazolo[4,5-c]pyridine
CID 155975188
(4aS,7aS)-6-[3-(trifluoromethyl)-2-pyridinyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102683963
1-[(5-chloro-2-pyridinyl)methyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
CID 133465598
(3S)-3-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperazine
CID 68719907

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[5-[3-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-oxazole?
The IUPAC name of 2-methyl-4-[[5-[3-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-oxazole (CID 155974323) is 2-methyl-4-[[5-[3-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 2-methyl-4-[[5-[3-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-oxazole?
The canonical SMILES for 2-methyl-4-[[5-[3-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-oxazole is Cc1nc(CN2CC3CN(c4ncccc4C(F)(F)F)CC3C2)co1.
What is the InChIKey of 2-methyl-4-[[5-[3-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-oxazole?
The InChIKey is VMAKXSKAYFJXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O/c1-11-22-14(10-25-11)9-23-5-12-7-24(8-13(12)6-23)16-15(17(18,19)20)3-2-4-21-16/h2-4,10,12-13H,5-9H2,1H3.
What are the key properties of 2-methyl-4-[[5-[3-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-oxazole?
2-methyl-4-[[5-[3-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-oxazole has a molecular weight of 352.36 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[5-[3-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 155974323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).