[(2S,3aS,7aS)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(1,2-oxazolidin-2-yl)methanone

C15H20N4O3 — CID 97411446

IUPAC[(2S,3aS,7aS)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(1,2-oxazolidin-2-yl)methanone
SMILESO=C([C@@H]1C[C@@H]2CCN(c3ncccn3)C[C@H]2O1)N1CCCO1
InChIInChI=1S/C15H20N4O3/c20-14(19-6-2-8-21-19)12-9-11-3-7-18(10-13(11)22-12)15-16-4-1-5-17-15/h1,4-5,11-13H,2-3,6-10H2/t11-,12-,13+/m0/s1
InChIKeyAHXISHIEZVINQF-RWMBFGLXSA-N
MW304.35 g/mol
LogP0.62
Rot. Bonds2

About [(2S,3aS,7aS)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(1,2-oxazolidin-2-yl)methanone

[(2S,3aS,7aS)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(1,2-oxazolidin-2-yl)methanone (PubChem CID 97411446) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is [(2S,3aS,7aS)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(1,2-oxazolidin-2-yl)methanone.

Molecular Properties

Compound Name[(2S,3aS,7aS)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(1,2-oxazolidin-2-yl)methanone
PubChem CID97411446
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name[(2S,3aS,7aS)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(1,2-oxazolidin-2-yl)methanone
SMILESO=C([C@@H]1C[C@@H]2CCN(c3ncccn3)C[C@H]2O1)N1CCCO1
InChIInChI=1S/C15H20N4O3/c20-14(19-6-2-8-21-19)12-9-11-3-7-18(10-13(11)22-12)15-16-4-1-5-17-15/h1,4-5,11-13H,2-3,6-10H2/t11-,12-,13+/m0/s1
InChIKeyAHXISHIEZVINQF-RWMBFGLXSA-N
XLogP0.62
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 ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2S,3aS,7aS)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(1,2-oxazolidin-2-yl)methanone with MolForge

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Related Compounds

Oxolan-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2932528
(3aS,4R,7aS)-N-(2-methoxyethyl)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
CID 97364994
(2S,3aS,7aS)-N-(2-methoxyethyl)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366665
(2R,3aS,7aR)-N-(2-methoxyethyl)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366895
[(2R,3aS,7aR)-6-(5-fluoropyrimidin-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 97366925
(2R,3aS,7aS)-N-(2-methoxyethyl)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97388455
(2R,3aS,7aS)-N-(2-methoxyethyl)-6-pyrimidin-4-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97388459
[(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
[(3aR,5R,7aR)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]-(oxazinan-2-yl)methanone
CID 97461764
(3aS,4S,7aS)-N-(2-methoxyethyl)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
CID 98810469
(9-Pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecan-3-yl)-pyrrolidin-1-ylmethanone
CID 118739174
(2R,3aS,7aS)-N-(2-methoxyethyl)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 127021560

Frequently Asked Questions

What is the IUPAC name of [(2S,3aS,7aS)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(1,2-oxazolidin-2-yl)methanone?
The IUPAC name of [(2S,3aS,7aS)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(1,2-oxazolidin-2-yl)methanone (CID 97411446) is [(2S,3aS,7aS)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(1,2-oxazolidin-2-yl)methanone.
What is the SMILES notation for [(2S,3aS,7aS)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(1,2-oxazolidin-2-yl)methanone?
The canonical SMILES for [(2S,3aS,7aS)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(1,2-oxazolidin-2-yl)methanone is O=C([C@@H]1C[C@@H]2CCN(c3ncccn3)C[C@H]2O1)N1CCCO1.
What is the InChIKey of [(2S,3aS,7aS)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(1,2-oxazolidin-2-yl)methanone?
The InChIKey is AHXISHIEZVINQF-RWMBFGLXSA-N. The full InChI is InChI=1S/C15H20N4O3/c20-14(19-6-2-8-21-19)12-9-11-3-7-18(10-13(11)22-12)15-16-4-1-5-17-15/h1,4-5,11-13H,2-3,6-10H2/t11-,12-,13+/m0/s1.
What are the key properties of [(2S,3aS,7aS)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(1,2-oxazolidin-2-yl)methanone?
[(2S,3aS,7aS)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(1,2-oxazolidin-2-yl)methanone has a molecular weight of 304.35 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3aS,7aS)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(1,2-oxazolidin-2-yl)methanone is sourced from PubChem (CID 97411446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).