2-[(2R,3aR,6aS)-5-[(4-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone

C19H25FN2O3 — CID 134690244

IUPAC2-[(2R,3aR,6aS)-5-[(4-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone
SMILESO=C(C[C@H]1C[C@@H]2CN(Cc3ccc(F)cc3)C[C@H]2O1)N1CCCCO1
InChIInChI=1S/C19H25FN2O3/c20-16-5-3-14(4-6-16)11-21-12-15-9-17(25-18(15)13-21)10-19(23)22-7-1-2-8-24-22/h3-6,15,17-18H,1-2,7-13H2/t15-,17-,18-/m1/s1
InChIKeyDMYRAMIXPFMOIQ-KBAYOESNSA-N
MW348.42 g/mol
LogP2.36
Rot. Bonds4

About 2-[(2R,3aR,6aS)-5-[(4-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone

2-[(2R,3aR,6aS)-5-[(4-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone (PubChem CID 134690244) has the molecular formula C19H25FN2O3 and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-[(2R,3aR,6aS)-5-[(4-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone.

Molecular Properties

Compound Name2-[(2R,3aR,6aS)-5-[(4-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone
PubChem CID134690244
Molecular FormulaC19H25FN2O3
Molecular Weight348.42 g/mol
Exact Mass348.18
IUPAC Name2-[(2R,3aR,6aS)-5-[(4-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone
SMILESO=C(C[C@H]1C[C@@H]2CN(Cc3ccc(F)cc3)C[C@H]2O1)N1CCCCO1
InChIInChI=1S/C19H25FN2O3/c20-16-5-3-14(4-6-16)11-21-12-15-9-17(25-18(15)13-21)10-19(23)22-7-1-2-8-24-22/h3-6,15,17-18H,1-2,7-13H2/t15-,17-,18-/m1/s1
InChIKeyDMYRAMIXPFMOIQ-KBAYOESNSA-N
XLogP2.36
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3aR,6aS)-5-[(4-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone?
The IUPAC name of 2-[(2R,3aR,6aS)-5-[(4-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone (CID 134690244) is 2-[(2R,3aR,6aS)-5-[(4-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone.
What is the SMILES notation for 2-[(2R,3aR,6aS)-5-[(4-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone?
The canonical SMILES for 2-[(2R,3aR,6aS)-5-[(4-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone is O=C(C[C@H]1C[C@@H]2CN(Cc3ccc(F)cc3)C[C@H]2O1)N1CCCCO1.
What is the InChIKey of 2-[(2R,3aR,6aS)-5-[(4-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone?
The InChIKey is DMYRAMIXPFMOIQ-KBAYOESNSA-N. The full InChI is InChI=1S/C19H25FN2O3/c20-16-5-3-14(4-6-16)11-21-12-15-9-17(25-18(15)13-21)10-19(23)22-7-1-2-8-24-22/h3-6,15,17-18H,1-2,7-13H2/t15-,17-,18-/m1/s1.
What are the key properties of 2-[(2R,3aR,6aS)-5-[(4-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone?
2-[(2R,3aR,6aS)-5-[(4-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone has a molecular weight of 348.42 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3aR,6aS)-5-[(4-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone is sourced from PubChem (CID 134690244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).