[(3aR,5S,7aR)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]-(1,2-oxazolidin-2-yl)methanone

C15H20N4O3 — CID 97408219

IUPAC[(3aR,5S,7aR)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]-(1,2-oxazolidin-2-yl)methanone
SMILESO=C([C@@H]1CC[C@@H]2[C@@H](CCN2c2ncccn2)O1)N1CCCO1
InChIInChI=1S/C15H20N4O3/c20-14(19-8-2-10-21-19)13-4-3-11-12(22-13)5-9-18(11)15-16-6-1-7-17-15/h1,6-7,11-13H,2-5,8-10H2/t11-,12-,13+/m1/s1
InChIKeyCRJJNXFUJWQMBU-UPJWGTAASA-N
MW304.35 g/mol
LogP0.77
Rot. Bonds2

About [(3aR,5S,7aR)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]-(1,2-oxazolidin-2-yl)methanone

[(3aR,5S,7aR)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]-(1,2-oxazolidin-2-yl)methanone (PubChem CID 97408219) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is [(3aR,5S,7aR)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]-(1,2-oxazolidin-2-yl)methanone.

Molecular Properties

Compound Name[(3aR,5S,7aR)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]-(1,2-oxazolidin-2-yl)methanone
PubChem CID97408219
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name[(3aR,5S,7aR)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]-(1,2-oxazolidin-2-yl)methanone
SMILESO=C([C@@H]1CC[C@@H]2[C@@H](CCN2c2ncccn2)O1)N1CCCO1
InChIInChI=1S/C15H20N4O3/c20-14(19-8-2-10-21-19)13-4-3-11-12(22-13)5-9-18(11)15-16-6-1-7-17-15/h1,6-7,11-13H,2-5,8-10H2/t11-,12-,13+/m1/s1
InChIKeyCRJJNXFUJWQMBU-UPJWGTAASA-N
XLogP0.77
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3aR,5S,7aR)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]-(1,2-oxazolidin-2-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3aR,5S,7aR)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]-(1,2-oxazolidin-2-yl)methanone?
The IUPAC name of [(3aR,5S,7aR)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]-(1,2-oxazolidin-2-yl)methanone (CID 97408219) is [(3aR,5S,7aR)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]-(1,2-oxazolidin-2-yl)methanone.
What is the SMILES notation for [(3aR,5S,7aR)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]-(1,2-oxazolidin-2-yl)methanone?
The canonical SMILES for [(3aR,5S,7aR)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]-(1,2-oxazolidin-2-yl)methanone is O=C([C@@H]1CC[C@@H]2[C@@H](CCN2c2ncccn2)O1)N1CCCO1.
What is the InChIKey of [(3aR,5S,7aR)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]-(1,2-oxazolidin-2-yl)methanone?
The InChIKey is CRJJNXFUJWQMBU-UPJWGTAASA-N. The full InChI is InChI=1S/C15H20N4O3/c20-14(19-8-2-10-21-19)13-4-3-11-12(22-13)5-9-18(11)15-16-6-1-7-17-15/h1,6-7,11-13H,2-5,8-10H2/t11-,12-,13+/m1/s1.
What are the key properties of [(3aR,5S,7aR)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]-(1,2-oxazolidin-2-yl)methanone?
[(3aR,5S,7aR)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]-(1,2-oxazolidin-2-yl)methanone has a molecular weight of 304.35 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,5S,7aR)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]-(1,2-oxazolidin-2-yl)methanone is sourced from PubChem (CID 97408219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).