5-[(3aS,6aS)-2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-propan-2-yl-1,2,4-oxadiazole

C18H25F2N5O — CID 126798019

IUPAC5-[(3aS,6aS)-2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc([C@@]23CCC[C@@H]2CN(Cc2cnn(CC(F)F)c2)C3)n1
InChIInChI=1S/C18H25F2N5O/c1-12(2)16-22-17(26-23-16)18-5-3-4-14(18)9-24(11-18)7-13-6-21-25(8-13)10-15(19)20/h6,8,12,14-15H,3-5,7,9-11H2,1-2H3/t14-,18-/m1/s1
InChIKeyMJVOARBQKGLEGY-RDTXWAMCSA-N
MW365.43 g/mol
LogP3.21
Rot. Bonds6

About 5-[(3aS,6aS)-2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-propan-2-yl-1,2,4-oxadiazole

5-[(3aS,6aS)-2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 126798019) has the molecular formula C18H25F2N5O and a molecular weight of 365.43 g/mol. Its IUPAC name is 5-[(3aS,6aS)-2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3aS,6aS)-2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID126798019
Molecular FormulaC18H25F2N5O
Molecular Weight365.43 g/mol
Exact Mass365.20
IUPAC Name5-[(3aS,6aS)-2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc([C@@]23CCC[C@@H]2CN(Cc2cnn(CC(F)F)c2)C3)n1
InChIInChI=1S/C18H25F2N5O/c1-12(2)16-22-17(26-23-16)18-5-3-4-14(18)9-24(11-18)7-13-6-21-25(8-13)10-15(19)20/h6,8,12,14-15H,3-5,7,9-11H2,1-2H3/t14-,18-/m1/s1
InChIKeyMJVOARBQKGLEGY-RDTXWAMCSA-N
XLogP3.21
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[(3aS,6aS)-2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-propan-2-yl-1,2,4-oxadiazole with MolForge

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Related Compounds

1-[(3aS,6aS)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-methylpropan-2-amine
CID 120858440
5-[[(3aR,6aR)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]thiophene-2-carboxylic acid
CID 154763643
1-[(3aS,6aS)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone
CID 100745856
[(3aS,6aS)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 122139148
6-[(3aR,6aR)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-methylpyrimidin-4-one
CID 139014379
[(3aS,6aS)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-(5-nitrothiophen-2-yl)methanone
CID 128969543
3-[2-[(3aS,6aS)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 128967050
5-[(3aS,6aS)-2-[(1-propan-2-yltetrazol-5-yl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-benzyl-1,2,4-oxadiazole
CID 128968211
5-[(3aS,6aS)-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 128971328
5-[(3aS,6aS)-2-(1H-pyrazol-5-ylmethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-benzyl-1,2,4-oxadiazole
CID 128968920
3-[[(3aS,6aS)-3a-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine
CID 128966024
5-[(3aS,6aS)-2-[3-(2-methylimidazol-1-yl)propyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 128968025

Frequently Asked Questions

What is the IUPAC name of 5-[(3aS,6aS)-2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(3aS,6aS)-2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-propan-2-yl-1,2,4-oxadiazole (CID 126798019) is 5-[(3aS,6aS)-2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3aS,6aS)-2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3aS,6aS)-2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-propan-2-yl-1,2,4-oxadiazole is CC(C)c1noc([C@@]23CCC[C@@H]2CN(Cc2cnn(CC(F)F)c2)C3)n1.
What is the InChIKey of 5-[(3aS,6aS)-2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is MJVOARBQKGLEGY-RDTXWAMCSA-N. The full InChI is InChI=1S/C18H25F2N5O/c1-12(2)16-22-17(26-23-16)18-5-3-4-14(18)9-24(11-18)7-13-6-21-25(8-13)10-15(19)20/h6,8,12,14-15H,3-5,7,9-11H2,1-2H3/t14-,18-/m1/s1.
What are the key properties of 5-[(3aS,6aS)-2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[(3aS,6aS)-2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 365.43 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3aS,6aS)-2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 126798019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).