[(2S,3aS,6aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-methylthiophen-2-yl)methanone

C17H19N3O3S — CID 97392488

IUPAC[(2S,3aS,6aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2C[C@@H]3C[C@@H](c4nnc(C5CC5)o4)O[C@@H]3C2)s1
InChIInChI=1S/C17H19N3O3S/c1-9-2-5-14(24-9)17(21)20-7-11-6-12(22-13(11)8-20)16-19-18-15(23-16)10-3-4-10/h2,5,10-13H,3-4,6-8H2,1H3/t11-,12-,13+/m0/s1
InChIKeyBSOBZTYIHHUHSR-RWMBFGLXSA-N
MW345.42 g/mol
LogP2.92
Rot. Bonds3

About [(2S,3aS,6aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-methylthiophen-2-yl)methanone

[(2S,3aS,6aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-methylthiophen-2-yl)methanone (PubChem CID 97392488) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is [(2S,3aS,6aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[(2S,3aS,6aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-methylthiophen-2-yl)methanone
PubChem CID97392488
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name[(2S,3aS,6aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2C[C@@H]3C[C@@H](c4nnc(C5CC5)o4)O[C@@H]3C2)s1
InChIInChI=1S/C17H19N3O3S/c1-9-2-5-14(24-9)17(21)20-7-11-6-12(22-13(11)8-20)16-19-18-15(23-16)10-3-4-10/h2,5,10-13H,3-4,6-8H2,1H3/t11-,12-,13+/m0/s1
InChIKeyBSOBZTYIHHUHSR-RWMBFGLXSA-N
XLogP2.92
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2S,3aS,6aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-methylthiophen-2-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2S,3aS,6aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-methylthiophen-2-yl)methanone?
The IUPAC name of [(2S,3aS,6aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-methylthiophen-2-yl)methanone (CID 97392488) is [(2S,3aS,6aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for [(2S,3aS,6aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for [(2S,3aS,6aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-methylthiophen-2-yl)methanone is Cc1ccc(C(=O)N2C[C@@H]3C[C@@H](c4nnc(C5CC5)o4)O[C@@H]3C2)s1.
What is the InChIKey of [(2S,3aS,6aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-methylthiophen-2-yl)methanone?
The InChIKey is BSOBZTYIHHUHSR-RWMBFGLXSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-9-2-5-14(24-9)17(21)20-7-11-6-12(22-13(11)8-20)16-19-18-15(23-16)10-3-4-10/h2,5,10-13H,3-4,6-8H2,1H3/t11-,12-,13+/m0/s1.
What are the key properties of [(2S,3aS,6aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-methylthiophen-2-yl)methanone?
[(2S,3aS,6aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-methylthiophen-2-yl)methanone has a molecular weight of 345.42 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3aS,6aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 97392488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).