(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

C15H19N5O3 — CID 97487614

IUPAC(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
SMILESCOc1cc(N2C[C@@H]3C[C@@H](Cc4nc(C)no4)O[C@@H]3C2)ncn1
InChIInChI=1S/C15H19N5O3/c1-9-18-15(23-19-9)4-11-3-10-6-20(7-12(10)22-11)13-5-14(21-2)17-8-16-13/h5,8,10-12H,3-4,6-7H2,1-2H3/t10-,11-,12+/m0/s1
InChIKeyBYEORLBKNWZSOR-SDDRHHMPSA-N
MW317.35 g/mol
LogP1.01
Rot. Bonds4

About (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

(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 (PubChem CID 97487614) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID97487614
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name(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
SMILESCOc1cc(N2C[C@@H]3C[C@@H](Cc4nc(C)no4)O[C@@H]3C2)ncn1
InChIInChI=1S/C15H19N5O3/c1-9-18-15(23-19-9)4-11-3-10-6-20(7-12(10)22-11)13-5-14(21-2)17-8-16-13/h5,8,10-12H,3-4,6-7H2,1-2H3/t10-,11-,12+/m0/s1
InChIKeyBYEORLBKNWZSOR-SDDRHHMPSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (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 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
(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-[(2R,3aR,6aS)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide
CID 134689298
2-[(2S,3aR,6aS)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylacetamide
CID 134689491
2-[(2R,3aR,6aS)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylacetamide
CID 134690231
2-[(2R,3aR,6aS)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(2-methoxyethyl)acetamide
CID 134690363
(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
2-[(2R,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(2-methoxyethyl)acetamide
CID 97474211
2-[(2S,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(2-methoxyethyl)acetamide
CID 97475075

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1cc(N2C[C@@H]3C[C@@H](Cc4nc(C)no4)O[C@@H]3C2)ncn1.
What is the InChIKey of (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?
The InChIKey is BYEORLBKNWZSOR-SDDRHHMPSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-9-18-15(23-19-9)4-11-3-10-6-20(7-12(10)22-11)13-5-14(21-2)17-8-16-13/h5,8,10-12H,3-4,6-7H2,1-2H3/t10-,11-,12+/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 317.35 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 97487614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).