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

C18H24N4O3 — CID 100745856

IUPAC1-[(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
SMILESCc1cc(CC(=O)N2C[C@H]3CCC[C@@]3(c3nc(C(C)C)no3)C2)no1
InChIInChI=1S/C18H24N4O3/c1-11(2)16-19-17(25-21-16)18-6-4-5-13(18)9-22(10-18)15(23)8-14-7-12(3)24-20-14/h7,11,13H,4-6,8-10H2,1-3H3/t13-,18-/m1/s1
InChIKeyMFQWHFJORFTQRQ-FZKQIMNGSA-N
MW344.42 g/mol
LogP2.61
Rot. Bonds4

About 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

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 (PubChem CID 100745856) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[(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
PubChem CID100745856
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name1-[(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
SMILESCc1cc(CC(=O)N2C[C@H]3CCC[C@@]3(c3nc(C(C)C)no3)C2)no1
InChIInChI=1S/C18H24N4O3/c1-11(2)16-19-17(25-21-16)18-6-4-5-13(18)9-22(10-18)15(23)8-14-7-12(3)24-20-14/h7,11,13H,4-6,8-10H2,1-3H3/t13-,18-/m1/s1
InChIKeyMFQWHFJORFTQRQ-FZKQIMNGSA-N
XLogP2.61
TPSA85.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
[(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
[(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
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-[3a-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-(3-methylphenyl)ethanone
CID 171148944
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
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
1-[(3aS,6aS)-3a-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3,4-dimethylpentan-1-one
CID 128970122
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
1-[(3aS,6aS)-3a-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-ethylbutan-1-one
CID 128968019
(2S)-1-[(3aS,6aS)-3a-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-methylpentan-1-one
CID 129324788
(3aS,6aS)-N-ethyl-N-propan-2-yl-3a-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide
CID 128980948

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(CC(=O)N2C[C@H]3CCC[C@@]3(c3nc(C(C)C)no3)C2)no1.
What is the InChIKey of 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?
The InChIKey is MFQWHFJORFTQRQ-FZKQIMNGSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-11(2)16-19-17(25-21-16)18-6-4-5-13(18)9-22(10-18)15(23)8-14-7-12(3)24-20-14/h7,11,13H,4-6,8-10H2,1-3H3/t13-,18-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 344.42 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 100745856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).