[(2R,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]-(3-methyl-1,2-oxazol-5-yl)methanone

C15H18N4O4 — CID 97486918

IUPAC[(2R,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]-(3-methyl-1,2-oxazol-5-yl)methanone
SMILESCc1cc(C(=O)N2C[C@@H]3C[C@H](Cc4nnc(C)o4)O[C@@H]3C2)on1
InChIInChI=1S/C15H18N4O4/c1-8-3-12(23-18-8)15(20)19-6-10-4-11(22-13(10)7-19)5-14-17-16-9(2)21-14/h3,10-11,13H,4-7H2,1-2H3/t10-,11+,13+/m0/s1
InChIKeyBBWORQBLKDIHBL-DMDPSCGWSA-N
MW318.33 g/mol
LogP1.15
Rot. Bonds3

About [(2R,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]-(3-methyl-1,2-oxazol-5-yl)methanone

[(2R,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]-(3-methyl-1,2-oxazol-5-yl)methanone (PubChem CID 97486918) has the molecular formula C15H18N4O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is [(2R,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]-(3-methyl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[(2R,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]-(3-methyl-1,2-oxazol-5-yl)methanone
PubChem CID97486918
Molecular FormulaC15H18N4O4
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC Name[(2R,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]-(3-methyl-1,2-oxazol-5-yl)methanone
SMILESCc1cc(C(=O)N2C[C@@H]3C[C@H](Cc4nnc(C)o4)O[C@@H]3C2)on1
InChIInChI=1S/C15H18N4O4/c1-8-3-12(23-18-8)15(20)19-6-10-4-11(22-13(10)7-19)5-14-17-16-9(2)21-14/h3,10-11,13H,4-7H2,1-2H3/t10-,11+,13+/m0/s1
InChIKeyBBWORQBLKDIHBL-DMDPSCGWSA-N
XLogP1.15
TPSA94.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(2R,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]-(3-methyl-1,2-oxazol-5-yl)methanone with MolForge

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Related Compounds

[(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
[(2R,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]-(1,3-oxazol-4-yl)methanone
CID 97477977
[(2R,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]-pyrazin-2-ylmethanone
CID 97485458
[(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]-pyrazin-2-ylmethanone
CID 97483707
1-[(2S,3aR,6aR)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-2-(2-methylphenyl)ethanone
CID 124820270
(3-aminoazetidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
CID 65244680
[(2S,3aS,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(2-methylpyrazol-3-yl)methanone
CID 97485955
1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridin-2-yl-(3-methyl-1,2-oxazol-5-yl)methanone
CID 68604049
(2R,3aS,6aS)-5-(furan-2-ylmethyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 97486904
(2S,3aR,6aR)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 124809474
1-[(2R,3aS,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-2-methoxyethanone
CID 155875591
1-[(2S,3aR,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-2-(2-fluorophenyl)ethanone
CID 125226909

Frequently Asked Questions

What is the IUPAC name of [(2R,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]-(3-methyl-1,2-oxazol-5-yl)methanone?
The IUPAC name of [(2R,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]-(3-methyl-1,2-oxazol-5-yl)methanone (CID 97486918) is [(2R,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]-(3-methyl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [(2R,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]-(3-methyl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [(2R,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]-(3-methyl-1,2-oxazol-5-yl)methanone is Cc1cc(C(=O)N2C[C@@H]3C[C@H](Cc4nnc(C)o4)O[C@@H]3C2)on1.
What is the InChIKey of [(2R,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]-(3-methyl-1,2-oxazol-5-yl)methanone?
The InChIKey is BBWORQBLKDIHBL-DMDPSCGWSA-N. The full InChI is InChI=1S/C15H18N4O4/c1-8-3-12(23-18-8)15(20)19-6-10-4-11(22-13(10)7-19)5-14-17-16-9(2)21-14/h3,10-11,13H,4-7H2,1-2H3/t10-,11+,13+/m0/s1.
What are the key properties of [(2R,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]-(3-methyl-1,2-oxazol-5-yl)methanone?
[(2R,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]-(3-methyl-1,2-oxazol-5-yl)methanone has a molecular weight of 318.33 g/mol, XLogP of 1.15, 3 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]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(3-methyl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 97486918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).