(2S,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole

C15H18FN5O2 — CID 97369256

IUPAC(2S,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
SMILESCC(C)c1nnc([C@@H]2C[C@H]3CN(c4ncc(F)cn4)C[C@H]3O2)o1
InChIInChI=1S/C15H18FN5O2/c1-8(2)13-19-20-14(23-13)11-3-9-6-21(7-12(9)22-11)15-17-4-10(16)5-18-15/h4-5,8-9,11-12H,3,6-7H2,1-2H3/t9-,11-,12+/m0/s1
InChIKeyXMCJHGWOHMLIAM-ZMLRMANQSA-N
MW319.34 g/mol
LogP2.09
Rot. Bonds3

About (2S,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole

(2S,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole (PubChem CID 97369256) has the molecular formula C15H18FN5O2 and a molecular weight of 319.34 g/mol. Its IUPAC name is (2S,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole.

Molecular Properties

Compound Name(2S,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
PubChem CID97369256
Molecular FormulaC15H18FN5O2
Molecular Weight319.34 g/mol
Exact Mass319.14
IUPAC Name(2S,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
SMILESCC(C)c1nnc([C@@H]2C[C@H]3CN(c4ncc(F)cn4)C[C@H]3O2)o1
InChIInChI=1S/C15H18FN5O2/c1-8(2)13-19-20-14(23-13)11-3-9-6-21(7-12(9)22-11)15-17-4-10(16)5-18-15/h4-5,8-9,11-12H,3,6-7H2,1-2H3/t9-,11-,12+/m0/s1
InChIKeyXMCJHGWOHMLIAM-ZMLRMANQSA-N
XLogP2.09
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2S,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole with MolForge

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Related Compounds

(2S,3aS,6aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 97369262
(2S,3aS,7aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-(5-fluoropyrimidin-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 97415471
(2R,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 97482942
(2R,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-(5-fluoropyrimidin-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 124784764
(2S,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 124805542

Frequently Asked Questions

What is the IUPAC name of (2S,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
The IUPAC name of (2S,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole (CID 97369256) is (2S,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole.
What is the SMILES notation for (2S,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
The canonical SMILES for (2S,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole is CC(C)c1nnc([C@@H]2C[C@H]3CN(c4ncc(F)cn4)C[C@H]3O2)o1.
What is the InChIKey of (2S,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
The InChIKey is XMCJHGWOHMLIAM-ZMLRMANQSA-N. The full InChI is InChI=1S/C15H18FN5O2/c1-8(2)13-19-20-14(23-13)11-3-9-6-21(7-12(9)22-11)15-17-4-10(16)5-18-15/h4-5,8-9,11-12H,3,6-7H2,1-2H3/t9-,11-,12+/m0/s1.
What are the key properties of (2S,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
(2S,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole has a molecular weight of 319.34 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole is sourced from PubChem (CID 97369256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).