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

C21H26FN3O7 — CID 90283884

IUPAC3-[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
SMILESCOCC1CN(c2noc3c(F)c(N4C[C@@H](C)O[C@H](C)C4)c(C4OCCO4)cc23)C(=O)O1
InChIInChI=1S/C21H26FN3O7/c1-11-7-24(8-12(2)30-11)17-14(20-28-4-5-29-20)6-15-18(16(17)22)32-23-19(15)25-9-13(10-27-3)31-21(25)26/h6,11-13,20H,4-5,7-10H2,1-3H3/t11-,12-,13?/m1/s1
InChIKeyOVNMWCOIYMOTSA-ZNRZSNADSA-N
MW451.45 g/mol
LogP2.60
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]-5-(methoxymethyl)-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]-5-(methoxymethyl)-1,3-oxazolidin-2-one (PubChem CID 90283884) has the molecular formula C21H26FN3O7 and a molecular weight of 451.45 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]-5-(methoxymethyl)-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]-5-(methoxymethyl)-1,3-oxazolidin-2-one
PubChem CID90283884
Molecular FormulaC21H26FN3O7
Molecular Weight451.45 g/mol
Exact Mass451.18
IUPAC Name3-[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
SMILESCOCC1CN(c2noc3c(F)c(N4C[C@@H](C)O[C@H](C)C4)c(C4OCCO4)cc23)C(=O)O1
InChIInChI=1S/C21H26FN3O7/c1-11-7-24(8-12(2)30-11)17-14(20-28-4-5-29-20)6-15-18(16(17)22)32-23-19(15)25-9-13(10-27-3)31-21(25)26/h6,11-13,20H,4-5,7-10H2,1-3H3/t11-,12-,13?/m1/s1
InChIKeyOVNMWCOIYMOTSA-ZNRZSNADSA-N
XLogP2.60
TPSA95.73 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.45
LogP ≤ 52.60
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]-5-(methoxymethyl)-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]-5-(methoxymethyl)-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]-5-(methoxymethyl)-1,3-oxazolidin-2-one (CID 90283884) is 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.
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]-5-(methoxymethyl)-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]-5-(methoxymethyl)-1,3-oxazolidin-2-one is COCC1CN(c2noc3c(F)c(N4C[C@@H](C)O[C@H](C)C4)c(C4OCCO4)cc23)C(=O)O1.
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]-5-(methoxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is OVNMWCOIYMOTSA-ZNRZSNADSA-N. The full InChI is InChI=1S/C21H26FN3O7/c1-11-7-24(8-12(2)30-11)17-14(20-28-4-5-29-20)6-15-18(16(17)22)32-23-19(15)25-9-13(10-27-3)31-21(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]-5-(methoxymethyl)-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]-5-(methoxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 451.45 g/mol, XLogP of 2.60, 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]-5-(methoxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 90283884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).