[(2R,3aS,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(1-methylpyrazol-3-yl)methanone

C15H19N5O3 — CID 97486583

IUPAC[(2R,3aS,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCc1noc(C[C@H]2C[C@H]3CN(C(=O)c4ccn(C)n4)C[C@H]3O2)n1
InChIInChI=1S/C15H19N5O3/c1-9-16-14(23-18-9)6-11-5-10-7-20(8-13(10)22-11)15(21)12-3-4-19(2)17-12/h3-4,10-11,13H,5-8H2,1-2H3/t10-,11+,13+/m0/s1
InChIKeyCFYNFDSDDZKJDI-DMDPSCGWSA-N
MW317.35 g/mol
LogP0.58
Rot. Bonds3

About [(2R,3aS,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(1-methylpyrazol-3-yl)methanone

[(2R,3aS,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(1-methylpyrazol-3-yl)methanone (PubChem CID 97486583) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is [(2R,3aS,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(2R,3aS,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(1-methylpyrazol-3-yl)methanone
PubChem CID97486583
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name[(2R,3aS,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCc1noc(C[C@H]2C[C@H]3CN(C(=O)c4ccn(C)n4)C[C@H]3O2)n1
InChIInChI=1S/C15H19N5O3/c1-9-16-14(23-18-9)6-11-5-10-7-20(8-13(10)22-11)15(21)12-3-4-19(2)17-12/h3-4,10-11,13H,5-8H2,1-2H3/t10-,11+,13+/m0/s1
InChIKeyCFYNFDSDDZKJDI-DMDPSCGWSA-N
XLogP0.58
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(2R,3aS,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(1-methylpyrazol-3-yl)methanone with MolForge

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Related Compounds

[(2S,3aS,6aS)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 97392513
[2-(3-Methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrazol-3-yl)methanone
CID 118739273
5-[1-(1-Ethyl-1H-pyrazole-3-carbonyl)pyrrolidin-2-YL]-3-(oxan-4-YL)-1,2,4-oxadiazole
CID 91908074
(1-methyl-1H-pyrazol-5-yl)[2-(3-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-5-yl)-1-pyrrolidinyl]methanone
CID 91908075
3-[2-(Cyclopentylmethoxy)ethyl]-5-[1-(1-methyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-YL]-1,2,4-oxadiazole
CID 124074169
5-[1-(1-Ethyl-1H-pyrazole-5-carbonyl)pyrrolidin-2-YL]-3-(oxan-4-YL)-1,2,4-oxadiazole
CID 91908073
[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrazol-3-yl)methanone
CID 97422203
[(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrazol-3-yl)methanone
CID 97422204
[(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(2-methylpyrazol-3-yl)methanone
CID 97422290
[(3S,3aS,6aS)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 97477744
[(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(1-methylpyrazol-3-yl)methanone
CID 97483276
[(2S,3aS,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(2-methylpyrazol-3-yl)methanone
CID 97485955

Frequently Asked Questions

What is the IUPAC name of [(2R,3aS,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(1-methylpyrazol-3-yl)methanone?
The IUPAC name of [(2R,3aS,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(1-methylpyrazol-3-yl)methanone (CID 97486583) is [(2R,3aS,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [(2R,3aS,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(1-methylpyrazol-3-yl)methanone?
The canonical SMILES for [(2R,3aS,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(1-methylpyrazol-3-yl)methanone is Cc1noc(C[C@H]2C[C@H]3CN(C(=O)c4ccn(C)n4)C[C@H]3O2)n1.
What is the InChIKey of [(2R,3aS,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(1-methylpyrazol-3-yl)methanone?
The InChIKey is CFYNFDSDDZKJDI-DMDPSCGWSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-9-16-14(23-18-9)6-11-5-10-7-20(8-13(10)22-11)15(21)12-3-4-19(2)17-12/h3-4,10-11,13H,5-8H2,1-2H3/t10-,11+,13+/m0/s1.
What are the key properties of [(2R,3aS,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(1-methylpyrazol-3-yl)methanone?
[(2R,3aS,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(1-methylpyrazol-3-yl)methanone has a molecular weight of 317.35 g/mol, XLogP of 0.58, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3aS,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 97486583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).