[(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

C16H17N5O3 — CID 133141593

IUPAC[(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
SMILESO=C(c1cnccn1)N1C[C@H]2C[C@H](c3nnc(C4CC4)o3)O[C@H]2C1
InChIInChI=1S/C16H17N5O3/c22-16(11-6-17-3-4-18-11)21-7-10-5-12(23-13(10)8-21)15-20-19-14(24-15)9-1-2-9/h3-4,6,9-10,12-13H,1-2,5,7-8H2/t10-,12-,13+/m1/s1
InChIKeyJNFSVXDKWMTEAC-RTXFEEFZSA-N
MW327.34 g/mol
LogP1.34
Rot. Bonds3

About [(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

[(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 (PubChem CID 133141593) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID133141593
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC Name[(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
SMILESO=C(c1cnccn1)N1C[C@H]2C[C@H](c3nnc(C4CC4)o3)O[C@H]2C1
InChIInChI=1S/C16H17N5O3/c22-16(11-6-17-3-4-18-11)21-7-10-5-12(23-13(10)8-21)15-20-19-14(24-15)9-1-2-9/h3-4,6,9-10,12-13H,1-2,5,7-8H2/t10-,12-,13+/m1/s1
InChIKeyJNFSVXDKWMTEAC-RTXFEEFZSA-N
XLogP1.34
TPSA94.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(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 with MolForge

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Related Compounds

[(2S,3aS,6aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-methylthiophen-2-yl)methanone
CID 97392488
[(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
[(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,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(furan-3-yl)methanone
CID 124788167
[(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
[(2R,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(3-methylfuran-2-yl)methanone
CID 124893219
[(3aR,6aS)-2-(cyclopropylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone
CID 97377072
pyrazin-2-yl-[(3S)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
CID 51137843
[(3aS,7aS)-5-(pyrazine-2-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-(thiadiazol-4-yl)methanone
CID 131689115
[(3aR,6aS)-2-(oxolan-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone
CID 131646464
[(3aR,6aS)-2-(cyclopentylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone
CID 97457905
(3-ethyl-4-hydroxypyrrolidin-1-yl)-pyrazin-2-ylmethanone
CID 136518326

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is O=C(c1cnccn1)N1C[C@H]2C[C@H](c3nnc(C4CC4)o3)O[C@H]2C1.
What is the InChIKey of [(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?
The InChIKey is JNFSVXDKWMTEAC-RTXFEEFZSA-N. The full InChI is InChI=1S/C16H17N5O3/c22-16(11-6-17-3-4-18-11)21-7-10-5-12(23-13(10)8-21)15-20-19-14(24-15)9-1-2-9/h3-4,6,9-10,12-13H,1-2,5,7-8H2/t10-,12-,13+/m1/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 327.34 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 133141593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).