2-[(3R,3aS,6aS)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-1-(1,2-oxazolidin-2-yl)ethanone

C15H20N4O3 — CID 97483071

IUPAC2-[(3R,3aS,6aS)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-1-(1,2-oxazolidin-2-yl)ethanone
SMILESO=C(C[C@H]1CO[C@@H]2CN(c3ncccn3)C[C@H]12)N1CCCO1
InChIInChI=1S/C15H20N4O3/c20-14(19-5-2-6-22-19)7-11-10-21-13-9-18(8-12(11)13)15-16-3-1-4-17-15/h1,3-4,11-13H,2,5-10H2/t11-,12+,13+/m0/s1
InChIKeyAGSZVMQLIJLYGH-YNEHKIRRSA-N
MW304.35 g/mol
LogP0.48
Rot. Bonds3

About 2-[(3R,3aS,6aS)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-1-(1,2-oxazolidin-2-yl)ethanone

2-[(3R,3aS,6aS)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-1-(1,2-oxazolidin-2-yl)ethanone (PubChem CID 97483071) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-[(3R,3aS,6aS)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-1-(1,2-oxazolidin-2-yl)ethanone.

Molecular Properties

Compound Name2-[(3R,3aS,6aS)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-1-(1,2-oxazolidin-2-yl)ethanone
PubChem CID97483071
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name2-[(3R,3aS,6aS)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-1-(1,2-oxazolidin-2-yl)ethanone
SMILESO=C(C[C@H]1CO[C@@H]2CN(c3ncccn3)C[C@H]12)N1CCCO1
InChIInChI=1S/C15H20N4O3/c20-14(19-5-2-6-22-19)7-11-10-21-13-9-18(8-12(11)13)15-16-3-1-4-17-15/h1,3-4,11-13H,2,5-10H2/t11-,12+,13+/m0/s1
InChIKeyAGSZVMQLIJLYGH-YNEHKIRRSA-N
XLogP0.48
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(3R,3aS,6aS)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-1-(1,2-oxazolidin-2-yl)ethanone with MolForge

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Related Compounds

1-[[(3S,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one
CID 124228469
1-[[(3R,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one
CID 124788679
1-[[(3R,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one
CID 124788680
2-[(2S,3aS,6aS)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid
CID 155856109
[(3aR,7S,7aR)-2-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(1,2-oxazolidin-2-yl)methanone
CID 97362668
[(3aS,4S,7aS)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone
CID 97362878
2-[(3aR,7S,7aS)-2-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-pyrrolidin-1-ylethanone
CID 97364739
[(3aS,4R,7aS)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone
CID 97365008
(5S)-N-[[(2S)-oxolan-2-yl]methyl]-7-pyrimidin-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97396182
(5R)-N-[[(2S)-oxolan-2-yl]methyl]-7-pyrimidin-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97396183
[(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
(2S,3aS,6aS)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 97411871

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,3aS,6aS)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-1-(1,2-oxazolidin-2-yl)ethanone?
The IUPAC name of 2-[(3R,3aS,6aS)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-1-(1,2-oxazolidin-2-yl)ethanone (CID 97483071) is 2-[(3R,3aS,6aS)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-1-(1,2-oxazolidin-2-yl)ethanone.
What is the SMILES notation for 2-[(3R,3aS,6aS)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-1-(1,2-oxazolidin-2-yl)ethanone?
The canonical SMILES for 2-[(3R,3aS,6aS)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-1-(1,2-oxazolidin-2-yl)ethanone is O=C(C[C@H]1CO[C@@H]2CN(c3ncccn3)C[C@H]12)N1CCCO1.
What is the InChIKey of 2-[(3R,3aS,6aS)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-1-(1,2-oxazolidin-2-yl)ethanone?
The InChIKey is AGSZVMQLIJLYGH-YNEHKIRRSA-N. The full InChI is InChI=1S/C15H20N4O3/c20-14(19-5-2-6-22-19)7-11-10-21-13-9-18(8-12(11)13)15-16-3-1-4-17-15/h1,3-4,11-13H,2,5-10H2/t11-,12+,13+/m0/s1.
What are the key properties of 2-[(3R,3aS,6aS)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-1-(1,2-oxazolidin-2-yl)ethanone?
2-[(3R,3aS,6aS)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-1-(1,2-oxazolidin-2-yl)ethanone has a molecular weight of 304.35 g/mol, XLogP of 0.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,3aS,6aS)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-1-(1,2-oxazolidin-2-yl)ethanone is sourced from PubChem (CID 97483071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).