(2S,3aR,6aR)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(2-phenylmethoxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole

C19H25N3O3 — CID 124811141

IUPAC(2S,3aR,6aR)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(2-phenylmethoxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
SMILESCc1noc(C[C@@H]2C[C@@H]3CN(CCOCc4ccccc4)C[C@@H]3O2)n1
InChIInChI=1S/C19H25N3O3/c1-14-20-19(25-21-14)10-17-9-16-11-22(12-18(16)24-17)7-8-23-13-15-5-3-2-4-6-15/h2-6,16-18H,7-13H2,1H3/t16-,17+,18+/m1/s1
InChIKeyWALLHAUGJLIFOH-SQNIBIBYSA-N
MW343.43 g/mol
LogP2.23
Rot. Bonds7

About (2S,3aR,6aR)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(2-phenylmethoxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole

(2S,3aR,6aR)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(2-phenylmethoxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole (PubChem CID 124811141) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is (2S,3aR,6aR)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(2-phenylmethoxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole.

Molecular Properties

Compound Name(2S,3aR,6aR)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(2-phenylmethoxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
PubChem CID124811141
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name(2S,3aR,6aR)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(2-phenylmethoxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
SMILESCc1noc(C[C@@H]2C[C@@H]3CN(CCOCc4ccccc4)C[C@@H]3O2)n1
InChIInChI=1S/C19H25N3O3/c1-14-20-19(25-21-14)10-17-9-16-11-22(12-18(16)24-17)7-8-23-13-15-5-3-2-4-6-15/h2-6,16-18H,7-13H2,1H3/t16-,17+,18+/m1/s1
InChIKeyWALLHAUGJLIFOH-SQNIBIBYSA-N
XLogP2.23
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S,3aR,6aR)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(2-phenylmethoxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole with MolForge

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Related Compounds

(2S,3aS,6aS)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-5-(2-phenylmethoxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 155864288
[(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
(2S,3aR,6aR)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-propylsulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 134690555
1-[(2S,3aR,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-(2-fluorophenyl)ethanone
CID 125226909
1-[(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-pyridin-2-ylethanone
CID 97482252
(2S,3aS,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(oxan-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 97485219
1-[(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]-2-methoxyethanone
CID 155875591
1,4-bis(2-phenylmethoxyethyl)piperazine
CID 2973061
1-[(2S,3aR,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-(4-fluoro-2-methylphenyl)ethanone
CID 125222750
1-methyl-4-(2-phenylmethoxyethyl)piperazine
CID 13309119
tert-butyl-[4-fluoro-1-(2-phenylmethoxyethyl)pyrrolidin-3-yl]oxy-dimethylsilane
CID 171837871
(3aR,5R,6R,7aS)-6-(2-methoxyphenoxy)-2-(2-phenylmethoxyethyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 172662180

Frequently Asked Questions

What is the IUPAC name of (2S,3aR,6aR)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(2-phenylmethoxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
The IUPAC name of (2S,3aR,6aR)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(2-phenylmethoxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole (CID 124811141) is (2S,3aR,6aR)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(2-phenylmethoxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole.
What is the SMILES notation for (2S,3aR,6aR)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(2-phenylmethoxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
The canonical SMILES for (2S,3aR,6aR)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(2-phenylmethoxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole is Cc1noc(C[C@@H]2C[C@@H]3CN(CCOCc4ccccc4)C[C@@H]3O2)n1.
What is the InChIKey of (2S,3aR,6aR)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(2-phenylmethoxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
The InChIKey is WALLHAUGJLIFOH-SQNIBIBYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-14-20-19(25-21-14)10-17-9-16-11-22(12-18(16)24-17)7-8-23-13-15-5-3-2-4-6-15/h2-6,16-18H,7-13H2,1H3/t16-,17+,18+/m1/s1.
What are the key properties of (2S,3aR,6aR)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(2-phenylmethoxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
(2S,3aR,6aR)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(2-phenylmethoxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole has a molecular weight of 343.43 g/mol, XLogP of 2.23, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aR,6aR)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(2-phenylmethoxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole is sourced from PubChem (CID 124811141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).