[(3aR,6aR)-3a-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone

C18H22N4O4 — CID 97422347

IUPAC[(3aR,6aR)-3a-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone
SMILESCC(C)c1nnc([C@]23COC[C@H]2CN(C(=O)c2cc(C4CC4)on2)C3)o1
InChIInChI=1S/C18H22N4O4/c1-10(2)15-19-20-17(25-15)18-8-22(6-12(18)7-24-9-18)16(23)13-5-14(26-21-13)11-3-4-11/h5,10-12H,3-4,6-9H2,1-2H3/t12-,18-/m1/s1
InChIKeySCCLQGOADJCAKY-KZULUSFZSA-N
MW358.40 g/mol
LogP2.10
Rot. Bonds4

About [(3aR,6aR)-3a-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone

[(3aR,6aR)-3a-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone (PubChem CID 97422347) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is [(3aR,6aR)-3a-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[(3aR,6aR)-3a-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone
PubChem CID97422347
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name[(3aR,6aR)-3a-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone
SMILESCC(C)c1nnc([C@]23COC[C@H]2CN(C(=O)c2cc(C4CC4)on2)C3)o1
InChIInChI=1S/C18H22N4O4/c1-10(2)15-19-20-17(25-15)18-8-22(6-12(18)7-24-9-18)16(23)13-5-14(26-21-13)11-3-4-11/h5,10-12H,3-4,6-9H2,1-2H3/t12-,18-/m1/s1
InChIKeySCCLQGOADJCAKY-KZULUSFZSA-N
XLogP2.10
TPSA94.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(3aR,6aR)-3a-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(5-cyclopropyl-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 [(3aR,6aR)-3a-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [(3aR,6aR)-3a-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone (CID 97422347) is [(3aR,6aR)-3a-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [(3aR,6aR)-3a-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [(3aR,6aR)-3a-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone is CC(C)c1nnc([C@]23COC[C@H]2CN(C(=O)c2cc(C4CC4)on2)C3)o1.
What is the InChIKey of [(3aR,6aR)-3a-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone?
The InChIKey is SCCLQGOADJCAKY-KZULUSFZSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-10(2)15-19-20-17(25-15)18-8-22(6-12(18)7-24-9-18)16(23)13-5-14(26-21-13)11-3-4-11/h5,10-12H,3-4,6-9H2,1-2H3/t12-,18-/m1/s1.
What are the key properties of [(3aR,6aR)-3a-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone?
[(3aR,6aR)-3a-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone has a molecular weight of 358.40 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6aR)-3a-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 97422347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).