5-[(3aR,6aR)-2-(5-fluoropyrimidin-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-propan-2-yl-1,2,4-oxadiazole

C16H20FN5O — CID 139014243

IUPAC5-[(3aR,6aR)-2-(5-fluoropyrimidin-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc([C@]23CCC[C@H]2CN(c2ncc(F)cn2)C3)n1
InChIInChI=1S/C16H20FN5O/c1-10(2)13-20-14(23-21-13)16-5-3-4-11(16)8-22(9-16)15-18-6-12(17)7-19-15/h6-7,10-11H,3-5,8-9H2,1-2H3/t11-,16-/m0/s1
InChIKeyZCGVEEJAERBYAH-ZBEGNZNMSA-N
MW317.37 g/mol
LogP2.68
Rot. Bonds3

About 5-[(3aR,6aR)-2-(5-fluoropyrimidin-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-propan-2-yl-1,2,4-oxadiazole

5-[(3aR,6aR)-2-(5-fluoropyrimidin-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 139014243) has the molecular formula C16H20FN5O and a molecular weight of 317.37 g/mol. Its IUPAC name is 5-[(3aR,6aR)-2-(5-fluoropyrimidin-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3aR,6aR)-2-(5-fluoropyrimidin-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID139014243
Molecular FormulaC16H20FN5O
Molecular Weight317.37 g/mol
Exact Mass317.17
IUPAC Name5-[(3aR,6aR)-2-(5-fluoropyrimidin-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc([C@]23CCC[C@H]2CN(c2ncc(F)cn2)C3)n1
InChIInChI=1S/C16H20FN5O/c1-10(2)13-20-14(23-21-13)16-5-3-4-11(16)8-22(9-16)15-18-6-12(17)7-19-15/h6-7,10-11H,3-5,8-9H2,1-2H3/t11-,16-/m0/s1
InChIKeyZCGVEEJAERBYAH-ZBEGNZNMSA-N
XLogP2.68
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[(3aR,6aR)-2-(5-fluoropyrimidin-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-propan-2-yl-1,2,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(3aR,6aR)-2-(5-fluoropyrimidin-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(3aR,6aR)-2-(5-fluoropyrimidin-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-propan-2-yl-1,2,4-oxadiazole (CID 139014243) is 5-[(3aR,6aR)-2-(5-fluoropyrimidin-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3aR,6aR)-2-(5-fluoropyrimidin-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3aR,6aR)-2-(5-fluoropyrimidin-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-propan-2-yl-1,2,4-oxadiazole is CC(C)c1noc([C@]23CCC[C@H]2CN(c2ncc(F)cn2)C3)n1.
What is the InChIKey of 5-[(3aR,6aR)-2-(5-fluoropyrimidin-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is ZCGVEEJAERBYAH-ZBEGNZNMSA-N. The full InChI is InChI=1S/C16H20FN5O/c1-10(2)13-20-14(23-21-13)16-5-3-4-11(16)8-22(9-16)15-18-6-12(17)7-19-15/h6-7,10-11H,3-5,8-9H2,1-2H3/t11-,16-/m0/s1.
What are the key properties of 5-[(3aR,6aR)-2-(5-fluoropyrimidin-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[(3aR,6aR)-2-(5-fluoropyrimidin-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 317.37 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3aR,6aR)-2-(5-fluoropyrimidin-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 139014243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).