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

C17H20N4O4 — CID 97482935

IUPAC[(2S,3aS,6aS)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone
SMILESCc1nnc(C[C@@H]2C[C@H]3CN(C(=O)c4cc(C5CC5)on4)C[C@H]3O2)o1
InChIInChI=1S/C17H20N4O4/c1-9-18-19-16(23-9)5-12-4-11-7-21(8-15(11)24-12)17(22)13-6-14(25-20-13)10-2-3-10/h6,10-12,15H,2-5,7-8H2,1H3/t11-,12-,15+/m0/s1
InChIKeyFDJVXOOPHDOVLV-SLEUVZQESA-N
MW344.37 g/mol
LogP1.72
Rot. Bonds4

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

[(2S,3aS,6aS)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone (PubChem CID 97482935) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is [(2S,3aS,6aS)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[(2S,3aS,6aS)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone
PubChem CID97482935
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name[(2S,3aS,6aS)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone
SMILESCc1nnc(C[C@@H]2C[C@H]3CN(C(=O)c4cc(C5CC5)on4)C[C@H]3O2)o1
InChIInChI=1S/C17H20N4O4/c1-9-18-19-16(23-9)5-12-4-11-7-21(8-15(11)24-12)17(22)13-6-14(25-20-13)10-2-3-10/h6,10-12,15H,2-5,7-8H2,1H3/t11-,12-,15+/m0/s1
InChIKeyFDJVXOOPHDOVLV-SLEUVZQESA-N
XLogP1.72
TPSA94.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of [(2S,3aS,6aS)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [(2S,3aS,6aS)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone (CID 97482935) is [(2S,3aS,6aS)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [(2S,3aS,6aS)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [(2S,3aS,6aS)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone is Cc1nnc(C[C@@H]2C[C@H]3CN(C(=O)c4cc(C5CC5)on4)C[C@H]3O2)o1.
What is the InChIKey of [(2S,3aS,6aS)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone?
The InChIKey is FDJVXOOPHDOVLV-SLEUVZQESA-N. The full InChI is InChI=1S/C17H20N4O4/c1-9-18-19-16(23-9)5-12-4-11-7-21(8-15(11)24-12)17(22)13-6-14(25-20-13)10-2-3-10/h6,10-12,15H,2-5,7-8H2,1H3/t11-,12-,15+/m0/s1.
What are the key properties of [(2S,3aS,6aS)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone?
[(2S,3aS,6aS)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone has a molecular weight of 344.37 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3aS,6aS)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 97482935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).