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

C14H16N4O4 — CID 97483913

IUPAC[(3R,3aS,6aS)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2C[C@@H]3[C@@H](c4nnc(C)o4)CO[C@@H]3C2)no1
InChIInChI=1S/C14H16N4O4/c1-7-3-11(17-22-7)14(19)18-4-9-10(6-20-12(9)5-18)13-16-15-8(2)21-13/h3,9-10,12H,4-6H2,1-2H3/t9-,10+,12-/m1/s1
InChIKeyRYDJQDPBDPONQD-JFGNBEQYSA-N
MW304.31 g/mol
LogP0.93
Rot. Bonds2

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

[(3R,3aS,6aS)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (PubChem CID 97483913) has the molecular formula C14H16N4O4 and a molecular weight of 304.31 g/mol. Its IUPAC name is [(3R,3aS,6aS)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[(3R,3aS,6aS)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
PubChem CID97483913
Molecular FormulaC14H16N4O4
Molecular Weight304.31 g/mol
Exact Mass304.12
IUPAC Name[(3R,3aS,6aS)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2C[C@@H]3[C@@H](c4nnc(C)o4)CO[C@@H]3C2)no1
InChIInChI=1S/C14H16N4O4/c1-7-3-11(17-22-7)14(19)18-4-9-10(6-20-12(9)5-18)13-16-15-8(2)21-13/h3,9-10,12H,4-6H2,1-2H3/t9-,10+,12-/m1/s1
InChIKeyRYDJQDPBDPONQD-JFGNBEQYSA-N
XLogP0.93
TPSA94.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3R,3aS,6aS)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [(3R,3aS,6aS)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (CID 97483913) is [(3R,3aS,6aS)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [(3R,3aS,6aS)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [(3R,3aS,6aS)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is Cc1cc(C(=O)N2C[C@@H]3[C@@H](c4nnc(C)o4)CO[C@@H]3C2)no1.
What is the InChIKey of [(3R,3aS,6aS)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The InChIKey is RYDJQDPBDPONQD-JFGNBEQYSA-N. The full InChI is InChI=1S/C14H16N4O4/c1-7-3-11(17-22-7)14(19)18-4-9-10(6-20-12(9)5-18)13-16-15-8(2)21-13/h3,9-10,12H,4-6H2,1-2H3/t9-,10+,12-/m1/s1.
What are the key properties of [(3R,3aS,6aS)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
[(3R,3aS,6aS)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone has a molecular weight of 304.31 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,3aS,6aS)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 97483913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).