(3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole

C13H14FN5O2 — CID 124807768

IUPAC(3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
SMILESCc1noc([C@@]23COC[C@@H]2CN(c2ncc(F)cn2)C3)n1
InChIInChI=1S/C13H14FN5O2/c1-8-17-11(21-18-8)13-6-19(4-9(13)5-20-7-13)12-15-2-10(14)3-16-12/h2-3,9H,4-7H2,1H3/t9-,13-/m0/s1
InChIKeyGJNKVCQFXBILII-ZANVPECISA-N
MW291.29 g/mol
LogP0.71
Rot. Bonds2

About (3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole

(3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole (PubChem CID 124807768) has the molecular formula C13H14FN5O2 and a molecular weight of 291.29 g/mol. Its IUPAC name is (3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole.

Molecular Properties

Compound Name(3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
PubChem CID124807768
Molecular FormulaC13H14FN5O2
Molecular Weight291.29 g/mol
Exact Mass291.11
IUPAC Name(3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
SMILESCc1noc([C@@]23COC[C@@H]2CN(c2ncc(F)cn2)C3)n1
InChIInChI=1S/C13H14FN5O2/c1-8-17-11(21-18-8)13-6-19(4-9(13)5-20-7-13)12-15-2-10(14)3-16-12/h2-3,9H,4-7H2,1H3/t9-,13-/m0/s1
InChIKeyGJNKVCQFXBILII-ZANVPECISA-N
XLogP0.71
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole with MolForge

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Related Compounds

(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 97473978
[(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrimidin-2-ylmethanone
CID 97422292
(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 97474010
[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-(1,2-oxazolidin-2-yl)methanone
CID 97477187
[(3aS,6aS)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-(1,2-oxazolidin-2-yl)methanone
CID 124785710
(3aS,6aS)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 124806279
[(3aS,6aS)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrimidin-2-ylmethanone
CID 124808658

Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
The IUPAC name of (3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole (CID 124807768) is (3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole.
What is the SMILES notation for (3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
The canonical SMILES for (3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole is Cc1noc([C@@]23COC[C@@H]2CN(c2ncc(F)cn2)C3)n1.
What is the InChIKey of (3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
The InChIKey is GJNKVCQFXBILII-ZANVPECISA-N. The full InChI is InChI=1S/C13H14FN5O2/c1-8-17-11(21-18-8)13-6-19(4-9(13)5-20-7-13)12-15-2-10(14)3-16-12/h2-3,9H,4-7H2,1H3/t9-,13-/m0/s1.
What are the key properties of (3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
(3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole has a molecular weight of 291.29 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole is sourced from PubChem (CID 124807768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).