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

C14H17N5O2 — CID 97476162

IUPAC(3aS,6aR)-3a-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
SMILESCc1noc(C[C@]23COC[C@H]2CN(c2ncccn2)C3)n1
InChIInChI=1S/C14H17N5O2/c1-10-17-12(21-18-10)5-14-8-19(6-11(14)7-20-9-14)13-15-3-2-4-16-13/h2-4,11H,5-9H2,1H3/t11-,14+/m1/s1
InChIKeyXUNKMCDASSEOGW-RISCZKNCSA-N
MW287.32 g/mol
LogP0.86
Rot. Bonds3

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

(3aS,6aR)-3a-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole (PubChem CID 97476162) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is (3aS,6aR)-3a-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole.

Molecular Properties

Compound Name(3aS,6aR)-3a-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
PubChem CID97476162
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name(3aS,6aR)-3a-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
SMILESCc1noc(C[C@]23COC[C@H]2CN(c2ncccn2)C3)n1
InChIInChI=1S/C14H17N5O2/c1-10-17-12(21-18-10)5-14-8-19(6-11(14)7-20-9-14)13-15-3-2-4-16-13/h2-4,11H,5-9H2,1H3/t11-,14+/m1/s1
InChIKeyXUNKMCDASSEOGW-RISCZKNCSA-N
XLogP0.86
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

(3aS,6aR)-3a-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole;2,2,2-trifluoroacetic acid
CID 155842756
(3aR,7R,7aR)-7-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole
CID 97364630
(3aR,7S,7aS)-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole
CID 97364747
(2S,3aS,6aS)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 97411871
[(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
2-[(3aS,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-1-(oxazinan-2-yl)ethanone
CID 97475542
2-[(3R,3aS,6aS)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-1-(1,2-oxazolidin-2-yl)ethanone
CID 97483071
2-[(3aR,6aS)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-1-(oxazinan-2-yl)ethanone
CID 124794563
(3aR,6aS)-3a-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 124805002
(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,7S,7aS)-7-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole
CID 124808432

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-3a-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
The IUPAC name of (3aS,6aR)-3a-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole (CID 97476162) is (3aS,6aR)-3a-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole.
What is the SMILES notation for (3aS,6aR)-3a-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
The canonical SMILES for (3aS,6aR)-3a-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole is Cc1noc(C[C@]23COC[C@H]2CN(c2ncccn2)C3)n1.
What is the InChIKey of (3aS,6aR)-3a-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
The InChIKey is XUNKMCDASSEOGW-RISCZKNCSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-10-17-12(21-18-10)5-14-8-19(6-11(14)7-20-9-14)13-15-3-2-4-16-13/h2-4,11H,5-9H2,1H3/t11-,14+/m1/s1.
What are the key properties of (3aS,6aR)-3a-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
(3aS,6aR)-3a-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole has a molecular weight of 287.32 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-3a-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole is sourced from PubChem (CID 97476162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).