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

C21H26FN3O6S — CID 90284579

IUPAC3-[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
SMILESCSCC1COC(=O)N1c1noc2c(F)c(N3C[C@@H](C)O[C@H](C)C3)c(C3OCCO3)cc12
InChIInChI=1S/C21H26FN3O6S/c1-11-7-24(8-12(2)30-11)17-14(20-27-4-5-28-20)6-15-18(16(17)22)31-23-19(15)25-13(10-32-3)9-29-21(25)26/h6,11-13,20H,4-5,7-10H2,1-3H3/t11-,12-,13?/m1/s1
InChIKeyHICSQFFONZVRHJ-ZNRZSNADSA-N
MW467.52 g/mol
LogP3.31
Rot. Bonds5

About 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

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 (PubChem CID 90284579) has the molecular formula C21H26FN3O6S and a molecular weight of 467.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID90284579
Molecular FormulaC21H26FN3O6S
Molecular Weight467.52 g/mol
Exact Mass467.15
IUPAC Name3-[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
SMILESCSCC1COC(=O)N1c1noc2c(F)c(N3C[C@@H](C)O[C@H](C)C3)c(C3OCCO3)cc12
InChIInChI=1S/C21H26FN3O6S/c1-11-7-24(8-12(2)30-11)17-14(20-27-4-5-28-20)6-15-18(16(17)22)31-23-19(15)25-13(10-32-3)9-29-21(25)26/h6,11-13,20H,4-5,7-10H2,1-3H3/t11-,12-,13?/m1/s1
InChIKeyHICSQFFONZVRHJ-ZNRZSNADSA-N
XLogP3.31
TPSA86.50 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.52
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CSCC1COC(=O)N1c1noc2c(F)c(N3C[C@@H](C)O[C@H](C)C3)c(C3OCCO3)cc12.
What is the InChIKey of 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?
The InChIKey is HICSQFFONZVRHJ-ZNRZSNADSA-N. The full InChI is InChI=1S/C21H26FN3O6S/c1-11-7-24(8-12(2)30-11)17-14(20-27-4-5-28-20)6-15-18(16(17)22)31-23-19(15)25-13(10-32-3)9-29-21(25)26/h6,11-13,20H,4-5,7-10H2,1-3H3/t11-,12-,13?/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 467.52 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 90284579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).