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

C21H26FN3O6 — CID 123416561

IUPAC3-[6-(2,6-dimethylmorpholin-4-yl)-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-ethyl-1,3-oxazolidin-2-one
SMILESCCC1CN(c2noc3c(F)c(N4CC(C)OC(C)C4)c(C4OCCO4)cc23)C(=O)O1
InChIInChI=1S/C21H26FN3O6/c1-4-13-10-25(21(26)30-13)19-15-7-14(20-27-5-6-28-20)17(16(22)18(15)31-23-19)24-8-11(2)29-12(3)9-24/h7,11-13,20H,4-6,8-10H2,1-3H3
InChIKeyJISJRKBLBAZHNM-UHFFFAOYSA-N
MW435.45 g/mol
LogP3.36
Rot. Bonds4

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

3-[6-(2,6-dimethylmorpholin-4-yl)-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-ethyl-1,3-oxazolidin-2-one (PubChem CID 123416561) has the molecular formula C21H26FN3O6 and a molecular weight of 435.45 g/mol. Its IUPAC name is 3-[6-(2,6-dimethylmorpholin-4-yl)-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-ethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[6-(2,6-dimethylmorpholin-4-yl)-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-ethyl-1,3-oxazolidin-2-one
PubChem CID123416561
Molecular FormulaC21H26FN3O6
Molecular Weight435.45 g/mol
Exact Mass435.18
IUPAC Name3-[6-(2,6-dimethylmorpholin-4-yl)-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-ethyl-1,3-oxazolidin-2-one
SMILESCCC1CN(c2noc3c(F)c(N4CC(C)OC(C)C4)c(C4OCCO4)cc23)C(=O)O1
InChIInChI=1S/C21H26FN3O6/c1-4-13-10-25(21(26)30-13)19-15-7-14(20-27-5-6-28-20)17(16(22)18(15)31-23-19)24-8-11(2)29-12(3)9-24/h7,11-13,20H,4-6,8-10H2,1-3H3
InChIKeyJISJRKBLBAZHNM-UHFFFAOYSA-N
XLogP3.36
TPSA86.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.45
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

3-[6-[(2R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-2-oxo-1,3-oxazolidine-5-carbonitrile
CID 144673394
(5R)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one
CID 90284427
3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one
CID 90316778
3-[6-(2,6-dimethylmorpholin-4-yl)-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-methanimidoyl-1,3-oxazolidin-2-one
CID 123147160
3-[6-[(2R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one;fluoromethane
CID 144673365
3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one;ethene
CID 144673386
(4R)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-4-(methylsulfonylmethyl)-1,3-oxazolidin-2-one
CID 90284535
3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-4-(methylsulfanylmethyl)-1,3-oxazolidin-2-one
CID 90284579
3-[5-(1,3-dioxolan-2-yl)-7-fluoro-6-[(2S)-2-methylmorpholin-4-yl]-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one
CID 144673337
(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
(4S)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-4-(3-fluoropropyl)-1,3-oxazolidin-2-one
CID 90284533
3-[7-chloro-6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-1,2-benzoxazol-3-yl]-4-methyl-1,3-oxazolidin-2-one
CID 90284135

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2,6-dimethylmorpholin-4-yl)-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-ethyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[6-(2,6-dimethylmorpholin-4-yl)-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-ethyl-1,3-oxazolidin-2-one (CID 123416561) is 3-[6-(2,6-dimethylmorpholin-4-yl)-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-ethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[6-(2,6-dimethylmorpholin-4-yl)-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-ethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[6-(2,6-dimethylmorpholin-4-yl)-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-ethyl-1,3-oxazolidin-2-one is CCC1CN(c2noc3c(F)c(N4CC(C)OC(C)C4)c(C4OCCO4)cc23)C(=O)O1.
What is the InChIKey of 3-[6-(2,6-dimethylmorpholin-4-yl)-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-ethyl-1,3-oxazolidin-2-one?
The InChIKey is JISJRKBLBAZHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O6/c1-4-13-10-25(21(26)30-13)19-15-7-14(20-27-5-6-28-20)17(16(22)18(15)31-23-19)24-8-11(2)29-12(3)9-24/h7,11-13,20H,4-6,8-10H2,1-3H3.
What are the key properties of 3-[6-(2,6-dimethylmorpholin-4-yl)-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-ethyl-1,3-oxazolidin-2-one?
3-[6-(2,6-dimethylmorpholin-4-yl)-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-ethyl-1,3-oxazolidin-2-one has a molecular weight of 435.45 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2,6-dimethylmorpholin-4-yl)-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-ethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 123416561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).