(5R)-3-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-methyl-1,3-oxazolidin-2-one

C20H24FN3O6 — CID 90283816

IUPAC(5R)-3-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-methyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1CN(c2noc3c(F)c(N4C[C@@H](C)O[C@@H](C)C4)c(C4OCCO4)cc23)C(=O)O1
InChIInChI=1S/C20H24FN3O6/c1-10-7-23(8-11(2)28-10)16-13(19-26-4-5-27-19)6-14-17(15(16)21)30-22-18(14)24-9-12(3)29-20(24)25/h6,10-12,19H,4-5,7-9H2,1-3H3/t10-,11+,12-/m1/s1
InChIKeyBFDWJFRZUCHBQS-GRYCIOLGSA-N
MW421.43 g/mol
LogP2.97
Rot. Bonds3

About (5R)-3-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-methyl-1,3-oxazolidin-2-one

(5R)-3-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-methyl-1,3-oxazolidin-2-one (PubChem CID 90283816) has the molecular formula C20H24FN3O6 and a molecular weight of 421.43 g/mol. Its IUPAC name is (5R)-3-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-methyl-1,3-oxazolidin-2-one
PubChem CID90283816
Molecular FormulaC20H24FN3O6
Molecular Weight421.43 g/mol
Exact Mass421.16
IUPAC Name(5R)-3-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-methyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1CN(c2noc3c(F)c(N4C[C@@H](C)O[C@@H](C)C4)c(C4OCCO4)cc23)C(=O)O1
InChIInChI=1S/C20H24FN3O6/c1-10-7-23(8-11(2)28-10)16-13(19-26-4-5-27-19)6-14-17(15(16)21)30-22-18(14)24-9-12(3)29-20(24)25/h6,10-12,19H,4-5,7-9H2,1-3H3/t10-,11+,12-/m1/s1
InChIKeyBFDWJFRZUCHBQS-GRYCIOLGSA-N
XLogP2.97
TPSA86.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.43
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (5R)-3-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-methyl-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-methyl-1,3-oxazolidin-2-one (CID 90283816) is (5R)-3-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-methyl-1,3-oxazolidin-2-one is C[C@@H]1CN(c2noc3c(F)c(N4C[C@@H](C)O[C@@H](C)C4)c(C4OCCO4)cc23)C(=O)O1.
What is the InChIKey of (5R)-3-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is BFDWJFRZUCHBQS-GRYCIOLGSA-N. The full InChI is InChI=1S/C20H24FN3O6/c1-10-7-23(8-11(2)28-10)16-13(19-26-4-5-27-19)6-14-17(15(16)21)30-22-18(14)24-9-12(3)29-20(24)25/h6,10-12,19H,4-5,7-9H2,1-3H3/t10-,11+,12-/m1/s1.
What are the key properties of (5R)-3-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-methyl-1,3-oxazolidin-2-one?
(5R)-3-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 421.43 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 90283816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).