(5S)-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 90283925

IUPAC(5S)-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(c2c(C3OCCO3)cc3c(N4C[C@H](C)OC4=O)noc3c2F)C[C@H](C)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-/m0/s1
InChIKeyBFDWJFRZUCHBQS-TUAOUCFPSA-N
MW421.43 g/mol
LogP2.97
Rot. Bonds3

About (5S)-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

(5S)-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 90283925) has the molecular formula C20H24FN3O6 and a molecular weight of 421.43 g/mol. Its IUPAC name is (5S)-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(5S)-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 CID90283925
Molecular FormulaC20H24FN3O6
Molecular Weight421.43 g/mol
Exact Mass421.16
IUPAC Name(5S)-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(c2c(C3OCCO3)cc3c(N4C[C@H](C)OC4=O)noc3c2F)C[C@H](C)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-/m0/s1
InChIKeyBFDWJFRZUCHBQS-TUAOUCFPSA-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 (5S)-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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Related Compounds

(4S)-3-[5-(1,3-Dioxolan-2-yl)-6,7-difluoro-1,2-benzisoxazol-3-yl]-4-methyl-2-oxazolidinone
CID 129125435
6-[(2R,6R)-2,6-Dimethyl-4-morpholinyl]-7-fluoro-3-[(4S)-4-methyl-2-oxo-3-oxazolidinyl]-1,2-benzisoxazole-5-carboxaldehyde
CID 155930900
3-(dimethylamino)-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazole-5-carbaldehyde
CID 87369112
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-morpholin-4-yl-1,2-benzoxazole-5-carbaldehyde
CID 87369200
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-pyrrolidin-1-yl-1,2-benzoxazole-5-carbaldehyde
CID 87369247
3-(diethylamino)-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazole-5-carbaldehyde
CID 87369374
tert-butyl 4-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-5-formyl-1,2-benzoxazol-3-yl]piperazine-1-carboxylate
CID 87369570
6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-[methyl(propyl)amino]-1,2-benzoxazole-5-carbaldehyde
CID 87369671
(5R)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 90283546
(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
(4S)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-4-[(E)-hydroxyiminomethyl]-1,3-oxazolidin-2-one
CID 90283829
(5R)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 90283883

Frequently Asked Questions

What is the IUPAC name of (5S)-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 (5S)-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 90283925) is (5S)-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 (5S)-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 (5S)-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(c2c(C3OCCO3)cc3c(N4C[C@H](C)OC4=O)noc3c2F)C[C@H](C)O1.
What is the InChIKey of (5S)-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-TUAOUCFPSA-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-/m0/s1.
What are the key properties of (5S)-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?
(5S)-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 (5S)-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 90283925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).