[(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]-pyrimidin-4-ylmethanone

C16H17N5O3 — CID 97369269

IUPAC[(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]-pyrimidin-4-ylmethanone
SMILESO=C(c1ccncn1)N1C[C@@H]2C[C@@H](c3nnc(C4CC4)o3)O[C@@H]2C1
InChIInChI=1S/C16H17N5O3/c22-16(11-3-4-17-8-18-11)21-6-10-5-12(23-13(10)7-21)15-20-19-14(24-15)9-1-2-9/h3-4,8-10,12-13H,1-2,5-7H2/t10-,12-,13+/m0/s1
InChIKeyNDHKXBOGSXSIDZ-WCFLWFBJSA-N
MW327.34 g/mol
LogP1.34
Rot. Bonds3

About [(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]-pyrimidin-4-ylmethanone

[(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]-pyrimidin-4-ylmethanone (PubChem CID 97369269) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is [(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]-pyrimidin-4-ylmethanone.

Molecular Properties

Compound Name[(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]-pyrimidin-4-ylmethanone
PubChem CID97369269
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC Name[(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]-pyrimidin-4-ylmethanone
SMILESO=C(c1ccncn1)N1C[C@@H]2C[C@@H](c3nnc(C4CC4)o3)O[C@@H]2C1
InChIInChI=1S/C16H17N5O3/c22-16(11-3-4-17-8-18-11)21-6-10-5-12(23-13(10)7-21)15-20-19-14(24-15)9-1-2-9/h3-4,8-10,12-13H,1-2,5-7H2/t10-,12-,13+/m0/s1
InChIKeyNDHKXBOGSXSIDZ-WCFLWFBJSA-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 [(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]-pyrimidin-4-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]-pyrimidin-4-ylmethanone
CID 97486292
[(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]-pyrimidin-4-ylmethanone
CID 124809113
[(3R,3aR,6aR)-3-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(1-methylpyrazol-3-yl)methanone
CID 124821899
[(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]-pyrimidin-4-ylmethanone
CID 133141605

Frequently Asked Questions

What is the IUPAC name of [(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]-pyrimidin-4-ylmethanone?
The IUPAC name of [(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]-pyrimidin-4-ylmethanone (CID 97369269) is [(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]-pyrimidin-4-ylmethanone.
What is the SMILES notation for [(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]-pyrimidin-4-ylmethanone?
The canonical SMILES for [(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]-pyrimidin-4-ylmethanone is O=C(c1ccncn1)N1C[C@@H]2C[C@@H](c3nnc(C4CC4)o3)O[C@@H]2C1.
What is the InChIKey of [(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]-pyrimidin-4-ylmethanone?
The InChIKey is NDHKXBOGSXSIDZ-WCFLWFBJSA-N. The full InChI is InChI=1S/C16H17N5O3/c22-16(11-3-4-17-8-18-11)21-6-10-5-12(23-13(10)7-21)15-20-19-14(24-15)9-1-2-9/h3-4,8-10,12-13H,1-2,5-7H2/t10-,12-,13+/m0/s1.
What are the key properties of [(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]-pyrimidin-4-ylmethanone?
[(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]-pyrimidin-4-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 [(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]-pyrimidin-4-ylmethanone is sourced from PubChem (CID 97369269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).