[(3aR,6S,7aR)-4-(furan-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-(1,2-oxazolidin-2-yl)methanone

C16H22N2O4 — CID 97365111

IUPAC[(3aR,6S,7aR)-4-(furan-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-(1,2-oxazolidin-2-yl)methanone
SMILESO=C([C@H]1C[C@H]2OCC[C@H]2N(Cc2ccco2)C1)N1CCCO1
InChIInChI=1S/C16H22N2O4/c19-16(18-5-2-7-22-18)12-9-15-14(4-8-21-15)17(10-12)11-13-3-1-6-20-13/h1,3,6,12,14-15H,2,4-5,7-11H2/t12-,14+,15+/m0/s1
InChIKeyULHDQOKVJDCEPB-NWANDNLSSA-N
MW306.36 g/mol
LogP1.42
Rot. Bonds3

About [(3aR,6S,7aR)-4-(furan-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-(1,2-oxazolidin-2-yl)methanone

[(3aR,6S,7aR)-4-(furan-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-(1,2-oxazolidin-2-yl)methanone (PubChem CID 97365111) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is [(3aR,6S,7aR)-4-(furan-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-(1,2-oxazolidin-2-yl)methanone.

Molecular Properties

Compound Name[(3aR,6S,7aR)-4-(furan-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-(1,2-oxazolidin-2-yl)methanone
PubChem CID97365111
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name[(3aR,6S,7aR)-4-(furan-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-(1,2-oxazolidin-2-yl)methanone
SMILESO=C([C@H]1C[C@H]2OCC[C@H]2N(Cc2ccco2)C1)N1CCCO1
InChIInChI=1S/C16H22N2O4/c19-16(18-5-2-7-22-18)12-9-15-14(4-8-21-15)17(10-12)11-13-3-1-6-20-13/h1,3,6,12,14-15H,2,4-5,7-11H2/t12-,14+,15+/m0/s1
InChIKeyULHDQOKVJDCEPB-NWANDNLSSA-N
XLogP1.42
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3aR,6S,7aR)-4-(furan-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-(1,2-oxazolidin-2-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3aR,6S,7aR)-4-(furan-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-(1,2-oxazolidin-2-yl)methanone?
The IUPAC name of [(3aR,6S,7aR)-4-(furan-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-(1,2-oxazolidin-2-yl)methanone (CID 97365111) is [(3aR,6S,7aR)-4-(furan-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-(1,2-oxazolidin-2-yl)methanone.
What is the SMILES notation for [(3aR,6S,7aR)-4-(furan-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-(1,2-oxazolidin-2-yl)methanone?
The canonical SMILES for [(3aR,6S,7aR)-4-(furan-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-(1,2-oxazolidin-2-yl)methanone is O=C([C@H]1C[C@H]2OCC[C@H]2N(Cc2ccco2)C1)N1CCCO1.
What is the InChIKey of [(3aR,6S,7aR)-4-(furan-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-(1,2-oxazolidin-2-yl)methanone?
The InChIKey is ULHDQOKVJDCEPB-NWANDNLSSA-N. The full InChI is InChI=1S/C16H22N2O4/c19-16(18-5-2-7-22-18)12-9-15-14(4-8-21-15)17(10-12)11-13-3-1-6-20-13/h1,3,6,12,14-15H,2,4-5,7-11H2/t12-,14+,15+/m0/s1.
What are the key properties of [(3aR,6S,7aR)-4-(furan-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-(1,2-oxazolidin-2-yl)methanone?
[(3aR,6S,7aR)-4-(furan-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-(1,2-oxazolidin-2-yl)methanone has a molecular weight of 306.36 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6S,7aR)-4-(furan-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-(1,2-oxazolidin-2-yl)methanone is sourced from PubChem (CID 97365111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).