[(3aS,7S,7aS)-7-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl]-pyrimidin-4-ylmethanone

C15H17N5O3 — CID 124805702

IUPAC[(3aS,7S,7aS)-7-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl]-pyrimidin-4-ylmethanone
SMILESCc1noc([C@@H]2COC[C@@H]3CN(C(=O)c4ccncn4)C[C@@H]32)n1
InChIInChI=1S/C15H17N5O3/c1-9-18-14(23-19-9)12-7-22-6-10-4-20(5-11(10)12)15(21)13-2-3-16-8-17-13/h2-3,8,10-12H,4-7H2,1H3/t10-,11-,12+/m0/s1
InChIKeyBJWBURDYLJXRPI-SDDRHHMPSA-N
MW315.33 g/mol
LogP0.67
Rot. Bonds2

About [(3aS,7S,7aS)-7-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl]-pyrimidin-4-ylmethanone

[(3aS,7S,7aS)-7-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl]-pyrimidin-4-ylmethanone (PubChem CID 124805702) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is [(3aS,7S,7aS)-7-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl]-pyrimidin-4-ylmethanone.

Molecular Properties

Compound Name[(3aS,7S,7aS)-7-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl]-pyrimidin-4-ylmethanone
PubChem CID124805702
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC Name[(3aS,7S,7aS)-7-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl]-pyrimidin-4-ylmethanone
SMILESCc1noc([C@@H]2COC[C@@H]3CN(C(=O)c4ccncn4)C[C@@H]32)n1
InChIInChI=1S/C15H17N5O3/c1-9-18-14(23-19-9)12-7-22-6-10-4-20(5-11(10)12)15(21)13-2-3-16-8-17-13/h2-3,8,10-12H,4-7H2,1H3/t10-,11-,12+/m0/s1
InChIKeyBJWBURDYLJXRPI-SDDRHHMPSA-N
XLogP0.67
TPSA94.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(3aS,7S,7aS)-7-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl]-pyrimidin-4-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

1-(1-Methyl-1H-pyrazole-5-carbonyl)-3-[3-(oxan-4-YL)-1,2,4-oxadiazol-5-YL]piperidine
CID 91908034
1-(1-Methyl-1H-pyrazole-5-carbonyl)-4-{[3-(oxan-4-YL)-1,2,4-oxadiazol-5-YL]methyl}piperidine
CID 91918875
[(3S)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]-pyrimidin-4-ylmethanone
CID 164641251
[3-(5-Methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
CID 72129584
1-(1-Ethyl-1H-pyrazole-5-carbonyl)-3-[3-(oxan-4-YL)-1,2,4-oxadiazol-5-YL]piperidine
CID 91918775
(1-ethyl-1H-pyrazol-3-yl)[3-(3-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-5-yl)piperidino]methanone
CID 91918776
[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
CID 95774240
[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
CID 95774241
(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
[(2S,3aS,7aS)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyrimidin-4-ylmethanone
CID 97369808
[(2R,3aS,7aS)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
CID 97392561
[(3S,3aS,6aS)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-pyrimidin-4-ylmethanone
CID 97482549

Frequently Asked Questions

What is the IUPAC name of [(3aS,7S,7aS)-7-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl]-pyrimidin-4-ylmethanone?
The IUPAC name of [(3aS,7S,7aS)-7-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl]-pyrimidin-4-ylmethanone (CID 124805702) is [(3aS,7S,7aS)-7-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl]-pyrimidin-4-ylmethanone.
What is the SMILES notation for [(3aS,7S,7aS)-7-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl]-pyrimidin-4-ylmethanone?
The canonical SMILES for [(3aS,7S,7aS)-7-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl]-pyrimidin-4-ylmethanone is Cc1noc([C@@H]2COC[C@@H]3CN(C(=O)c4ccncn4)C[C@@H]32)n1.
What is the InChIKey of [(3aS,7S,7aS)-7-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl]-pyrimidin-4-ylmethanone?
The InChIKey is BJWBURDYLJXRPI-SDDRHHMPSA-N. The full InChI is InChI=1S/C15H17N5O3/c1-9-18-14(23-19-9)12-7-22-6-10-4-20(5-11(10)12)15(21)13-2-3-16-8-17-13/h2-3,8,10-12H,4-7H2,1H3/t10-,11-,12+/m0/s1.
What are the key properties of [(3aS,7S,7aS)-7-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl]-pyrimidin-4-ylmethanone?
[(3aS,7S,7aS)-7-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl]-pyrimidin-4-ylmethanone has a molecular weight of 315.33 g/mol, XLogP of 0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,7S,7aS)-7-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl]-pyrimidin-4-ylmethanone is sourced from PubChem (CID 124805702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).