[(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

C15H17N5O3 — CID 97483707

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]-pyrazin-2-ylmethanone
SMILESCc1nnc(C[C@@H]2C[C@H]3CN(C(=O)c4cnccn4)C[C@H]3O2)o1
InChIInChI=1S/C15H17N5O3/c1-9-18-19-14(22-9)5-11-4-10-7-20(8-13(10)23-11)15(21)12-6-16-2-3-17-12/h2-3,6,10-11,13H,4-5,7-8H2,1H3/t10-,11-,13+/m0/s1
InChIKeyDHELEBLREYPHMO-GMXVVIOVSA-N
MW315.33 g/mol
LogP0.64
Rot. Bonds3

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]-pyrazin-2-ylmethanone

[(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 (PubChem CID 97483707) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 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]-pyrazin-2-ylmethanone.

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]-pyrazin-2-ylmethanone
PubChem CID97483707
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
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]-pyrazin-2-ylmethanone
SMILESCc1nnc(C[C@@H]2C[C@H]3CN(C(=O)c4cnccn4)C[C@H]3O2)o1
InChIInChI=1S/C15H17N5O3/c1-9-18-19-14(22-9)5-11-4-10-7-20(8-13(10)23-11)15(21)12-6-16-2-3-17-12/h2-3,6,10-11,13H,4-5,7-8H2,1H3/t10-,11-,13+/m0/s1
InChIKeyDHELEBLREYPHMO-GMXVVIOVSA-N
XLogP0.64
TPSA94.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.64
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]-pyrazin-2-ylmethanone with MolForge

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Related Compounds

[(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
[(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
[(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]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 97486918
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 71785197
[(2R,3aR,6aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-pyrazin-2-ylmethanone
CID 133141593
[(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
(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
[(3aR,6aS)-2-(cyclopropylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone
CID 97377072
(3-ethyl-4-hydroxypyrrolidin-1-yl)-pyrazin-2-ylmethanone
CID 136518326
[(2S,3aS,7aS)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyrazin-2-ylmethanone
CID 97369716
[(3aR,6aS)-2-(oxolan-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone
CID 131646464

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]-pyrazin-2-ylmethanone?
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]-pyrazin-2-ylmethanone (CID 97483707) 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]-pyrazin-2-ylmethanone.
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]-pyrazin-2-ylmethanone?
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]-pyrazin-2-ylmethanone is Cc1nnc(C[C@@H]2C[C@H]3CN(C(=O)c4cnccn4)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]-pyrazin-2-ylmethanone?
The InChIKey is DHELEBLREYPHMO-GMXVVIOVSA-N. The full InChI is InChI=1S/C15H17N5O3/c1-9-18-19-14(22-9)5-11-4-10-7-20(8-13(10)23-11)15(21)12-6-16-2-3-17-12/h2-3,6,10-11,13H,4-5,7-8H2,1H3/t10-,11-,13+/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]-pyrazin-2-ylmethanone?
[(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 has a molecular weight of 315.33 g/mol, XLogP of 0.64, 3 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]-pyrazin-2-ylmethanone is sourced from PubChem (CID 97483707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).