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

C15H19N5O3 — CID 97482632

IUPAC(3S,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
SMILESCOc1cc(N2C[C@@H]3[C@H](Cc4nc(C)no4)CO[C@@H]3C2)ncn1
InChIInChI=1S/C15H19N5O3/c1-9-18-15(23-19-9)3-10-7-22-12-6-20(5-11(10)12)13-4-14(21-2)17-8-16-13/h4,8,10-12H,3,5-7H2,1-2H3/t10-,11-,12-/m1/s1
InChIKeyDOIRGFNWNIUGHM-IJLUTSLNSA-N
MW317.35 g/mol
LogP0.87
Rot. Bonds4

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

(3S,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole (PubChem CID 97482632) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is (3S,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole.

Molecular Properties

Compound Name(3S,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
PubChem CID97482632
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name(3S,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
SMILESCOc1cc(N2C[C@@H]3[C@H](Cc4nc(C)no4)CO[C@@H]3C2)ncn1
InChIInChI=1S/C15H19N5O3/c1-9-18-15(23-19-9)3-10-7-22-12-6-20(5-11(10)12)13-4-14(21-2)17-8-16-13/h4,8,10-12H,3,5-7H2,1-2H3/t10-,11-,12-/m1/s1
InChIKeyDOIRGFNWNIUGHM-IJLUTSLNSA-N
XLogP0.87
TPSA86.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

(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
(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;2,2,2-trifluoroacetic acid
CID 155828050
(3R,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole;2,2,2-trifluoroacetic acid
CID 155832932
(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;2,2,2-trifluoroacetic acid
CID 155837226
2-[(3R,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-1-(1,2-oxazolidin-2-yl)ethanone;2,2,2-trifluoroacetic acid
CID 155859352
(3S,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole;2,2,2-trifluoroacetic acid
CID 155860355
2-[(3aS,6aR)-5-(6-methoxypyrimidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-1-(1,2-oxazolidin-2-yl)ethanone
CID 97475600
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
(3R,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 97483488
2-[(3R,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-1-(1,2-oxazolidin-2-yl)ethanone
CID 97484297
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

Frequently Asked Questions

What is the IUPAC name of (3S,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
The IUPAC name of (3S,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole (CID 97482632) is (3S,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole.
What is the SMILES notation for (3S,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
The canonical SMILES for (3S,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole is COc1cc(N2C[C@@H]3[C@H](Cc4nc(C)no4)CO[C@@H]3C2)ncn1.
What is the InChIKey of (3S,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
The InChIKey is DOIRGFNWNIUGHM-IJLUTSLNSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-9-18-15(23-19-9)3-10-7-22-12-6-20(5-11(10)12)13-4-14(21-2)17-8-16-13/h4,8,10-12H,3,5-7H2,1-2H3/t10-,11-,12-/m1/s1.
What are the key properties of (3S,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
(3S,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole has a molecular weight of 317.35 g/mol, XLogP of 0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole is sourced from PubChem (CID 97482632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).