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

C15H20N4O3 — CID 97482403

IUPAC(2R,3aS,6aS)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
SMILESCc1cc(CN2C[C@@H]3C[C@H](Cc4nnc(C)o4)O[C@@H]3C2)no1
InChIInChI=1S/C15H20N4O3/c1-9-3-12(18-22-9)7-19-6-11-4-13(21-14(11)8-19)5-15-17-16-10(2)20-15/h3,11,13-14H,4-8H2,1-2H3/t11-,13+,14+/m0/s1
InChIKeyBQHZVIHKZVZBJV-IACUBPJLSA-N
MW304.35 g/mol
LogP1.51
Rot. Bonds4

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

(2R,3aS,6aS)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole (PubChem CID 97482403) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is (2R,3aS,6aS)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole.

Molecular Properties

Compound Name(2R,3aS,6aS)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
PubChem CID97482403
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name(2R,3aS,6aS)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
SMILESCc1cc(CN2C[C@@H]3C[C@H](Cc4nnc(C)o4)O[C@@H]3C2)no1
InChIInChI=1S/C15H20N4O3/c1-9-3-12(18-22-9)7-19-6-11-4-13(21-14(11)8-19)5-15-17-16-10(2)20-15/h3,11,13-14H,4-8H2,1-2H3/t11-,13+,14+/m0/s1
InChIKeyBQHZVIHKZVZBJV-IACUBPJLSA-N
XLogP1.51
TPSA77.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3aS,6aS)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
The IUPAC name of (2R,3aS,6aS)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole (CID 97482403) is (2R,3aS,6aS)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole.
What is the SMILES notation for (2R,3aS,6aS)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
The canonical SMILES for (2R,3aS,6aS)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole is Cc1cc(CN2C[C@@H]3C[C@H](Cc4nnc(C)o4)O[C@@H]3C2)no1.
What is the InChIKey of (2R,3aS,6aS)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
The InChIKey is BQHZVIHKZVZBJV-IACUBPJLSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-9-3-12(18-22-9)7-19-6-11-4-13(21-14(11)8-19)5-15-17-16-10(2)20-15/h3,11,13-14H,4-8H2,1-2H3/t11-,13+,14+/m0/s1.
What are the key properties of (2R,3aS,6aS)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
(2R,3aS,6aS)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole has a molecular weight of 304.35 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aS,6aS)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole is sourced from PubChem (CID 97482403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).