(5R)-5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-3-[2-[4-[2-[(3-fluorophenyl)methoxy]ethoxy]phenyl]ethyl]-1,3-oxazolidin-2-one

C30H32FNO6 — CID 69388714

IUPAC(5R)-5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-3-[2-[4-[2-[(3-fluorophenyl)methoxy]ethoxy]phenyl]ethyl]-1,3-oxazolidin-2-one
SMILESCC1(C)OCc2cc([C@@H]3CN(CCc4ccc(OCCOCc5cccc(F)c5)cc4)C(=O)O3)ccc2O1
InChIInChI=1S/C30H32FNO6/c1-30(2)36-20-24-17-23(8-11-27(24)38-30)28-18-32(29(33)37-28)13-12-21-6-9-26(10-7-21)35-15-14-34-19-22-4-3-5-25(31)16-22/h3-11,16-17,28H,12-15,18-20H2,1-2H3/t28-/m0/s1
InChIKeyRWEAYEIWDFXTHW-NDEPHWFRSA-N
MW521.59 g/mol
LogP5.80
Rot. Bonds10

About (5R)-5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-3-[2-[4-[2-[(3-fluorophenyl)methoxy]ethoxy]phenyl]ethyl]-1,3-oxazolidin-2-one

(5R)-5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-3-[2-[4-[2-[(3-fluorophenyl)methoxy]ethoxy]phenyl]ethyl]-1,3-oxazolidin-2-one (PubChem CID 69388714) has the molecular formula C30H32FNO6 and a molecular weight of 521.59 g/mol. Its IUPAC name is (5R)-5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-3-[2-[4-[2-[(3-fluorophenyl)methoxy]ethoxy]phenyl]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-3-[2-[4-[2-[(3-fluorophenyl)methoxy]ethoxy]phenyl]ethyl]-1,3-oxazolidin-2-one
PubChem CID69388714
Molecular FormulaC30H32FNO6
Molecular Weight521.59 g/mol
Exact Mass521.22
IUPAC Name(5R)-5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-3-[2-[4-[2-[(3-fluorophenyl)methoxy]ethoxy]phenyl]ethyl]-1,3-oxazolidin-2-one
SMILESCC1(C)OCc2cc([C@@H]3CN(CCc4ccc(OCCOCc5cccc(F)c5)cc4)C(=O)O3)ccc2O1
InChIInChI=1S/C30H32FNO6/c1-30(2)36-20-24-17-23(8-11-27(24)38-30)28-18-32(29(33)37-28)13-12-21-6-9-26(10-7-21)35-15-14-34-19-22-4-3-5-25(31)16-22/h3-11,16-17,28H,12-15,18-20H2,1-2H3/t28-/m0/s1
InChIKeyRWEAYEIWDFXTHW-NDEPHWFRSA-N
XLogP5.80
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.59
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (5R)-5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-3-[2-[4-[2-[(3-fluorophenyl)methoxy]ethoxy]phenyl]ethyl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-3-[2-[4-[2-[(3-fluorophenyl)methoxy]ethoxy]phenyl]ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-3-[2-[4-[2-[(3-fluorophenyl)methoxy]ethoxy]phenyl]ethyl]-1,3-oxazolidin-2-one (CID 69388714) is (5R)-5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-3-[2-[4-[2-[(3-fluorophenyl)methoxy]ethoxy]phenyl]ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-3-[2-[4-[2-[(3-fluorophenyl)methoxy]ethoxy]phenyl]ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-3-[2-[4-[2-[(3-fluorophenyl)methoxy]ethoxy]phenyl]ethyl]-1,3-oxazolidin-2-one is CC1(C)OCc2cc([C@@H]3CN(CCc4ccc(OCCOCc5cccc(F)c5)cc4)C(=O)O3)ccc2O1.
What is the InChIKey of (5R)-5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-3-[2-[4-[2-[(3-fluorophenyl)methoxy]ethoxy]phenyl]ethyl]-1,3-oxazolidin-2-one?
The InChIKey is RWEAYEIWDFXTHW-NDEPHWFRSA-N. The full InChI is InChI=1S/C30H32FNO6/c1-30(2)36-20-24-17-23(8-11-27(24)38-30)28-18-32(29(33)37-28)13-12-21-6-9-26(10-7-21)35-15-14-34-19-22-4-3-5-25(31)16-22/h3-11,16-17,28H,12-15,18-20H2,1-2H3/t28-/m0/s1.
What are the key properties of (5R)-5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-3-[2-[4-[2-[(3-fluorophenyl)methoxy]ethoxy]phenyl]ethyl]-1,3-oxazolidin-2-one?
(5R)-5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-3-[2-[4-[2-[(3-fluorophenyl)methoxy]ethoxy]phenyl]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 521.59 g/mol, XLogP of 5.80, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-3-[2-[4-[2-[(3-fluorophenyl)methoxy]ethoxy]phenyl]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 69388714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).