(2R,3aS,7aS)-6-(6-methoxypyrimidin-4-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine

C15H19N5O3 — CID 97369599

IUPAC(2R,3aS,7aS)-6-(6-methoxypyrimidin-4-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
SMILESCOc1cc(N2CC[C@H]3C[C@H](c4noc(C)n4)O[C@@H]3C2)ncn1
InChIInChI=1S/C15H19N5O3/c1-9-18-15(19-23-9)11-5-10-3-4-20(7-12(10)22-11)13-6-14(21-2)17-8-16-13/h6,8,10-12H,3-5,7H2,1-2H3/t10-,11+,12+/m0/s1
InChIKeyAUESFRIWLNSKAU-QJPTWQEYSA-N
MW317.35 g/mol
LogP1.53
Rot. Bonds3

About (2R,3aS,7aS)-6-(6-methoxypyrimidin-4-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine

(2R,3aS,7aS)-6-(6-methoxypyrimidin-4-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine (PubChem CID 97369599) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is (2R,3aS,7aS)-6-(6-methoxypyrimidin-4-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine.

Molecular Properties

Compound Name(2R,3aS,7aS)-6-(6-methoxypyrimidin-4-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
PubChem CID97369599
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name(2R,3aS,7aS)-6-(6-methoxypyrimidin-4-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
SMILESCOc1cc(N2CC[C@H]3C[C@H](c4noc(C)n4)O[C@@H]3C2)ncn1
InChIInChI=1S/C15H19N5O3/c1-9-18-15(19-23-9)11-5-10-3-4-20(7-12(10)22-11)13-6-14(21-2)17-8-16-13/h6,8,10-12H,3-5,7H2,1-2H3/t10-,11+,12+/m0/s1
InChIKeyAUESFRIWLNSKAU-QJPTWQEYSA-N
XLogP1.53
TPSA86.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (2R,3aS,7aS)-6-(6-methoxypyrimidin-4-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine with MolForge

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Launch Full Analysis

Related Compounds

[(3aS,4S,7aS)-6-(6-methoxypyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone
CID 97362879
(3aR,7S,7aS)-2-(6-methoxypyrimidin-4-yl)-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole
CID 97364748
[(3aS,4R,7aS)-6-(6-methoxypyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone
CID 97365009
4-[4-(3-Isopropyl-1,2,4-oxadiazol-5-YL)piperidin-1-YL]-6-methoxypyrimidine
CID 50962035
(2R,3aS,7aS)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 97369597
(2R,3aS,7aS)-6-(6-methoxypyrimidin-4-yl)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 97369643
2-[(3S,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-1-(oxazinan-2-yl)ethanone
CID 97482687
2-[(2S,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone
CID 97483691
2-[(3R,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-1-(oxazinan-2-yl)ethanone
CID 97486196
(2S,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 97487614
(2R,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 97487654
[(3aR,4S,7aR)-6-(6-methoxypyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone
CID 124793958

Frequently Asked Questions

What is the IUPAC name of (2R,3aS,7aS)-6-(6-methoxypyrimidin-4-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
The IUPAC name of (2R,3aS,7aS)-6-(6-methoxypyrimidin-4-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine (CID 97369599) is (2R,3aS,7aS)-6-(6-methoxypyrimidin-4-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine.
What is the SMILES notation for (2R,3aS,7aS)-6-(6-methoxypyrimidin-4-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
The canonical SMILES for (2R,3aS,7aS)-6-(6-methoxypyrimidin-4-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine is COc1cc(N2CC[C@H]3C[C@H](c4noc(C)n4)O[C@@H]3C2)ncn1.
What is the InChIKey of (2R,3aS,7aS)-6-(6-methoxypyrimidin-4-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
The InChIKey is AUESFRIWLNSKAU-QJPTWQEYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-9-18-15(19-23-9)11-5-10-3-4-20(7-12(10)22-11)13-6-14(21-2)17-8-16-13/h6,8,10-12H,3-5,7H2,1-2H3/t10-,11+,12+/m0/s1.
What are the key properties of (2R,3aS,7aS)-6-(6-methoxypyrimidin-4-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
(2R,3aS,7aS)-6-(6-methoxypyrimidin-4-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine has a molecular weight of 317.35 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aS,7aS)-6-(6-methoxypyrimidin-4-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine is sourced from PubChem (CID 97369599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).