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

C19H22FN3O6 — CID 90316778

IUPAC3-[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
SMILESC[C@@H]1CN(c2c(C3OCCO3)cc3c(N4CCOC4=O)noc3c2F)C[C@@H](C)O1
InChIInChI=1S/C19H22FN3O6/c1-10-8-22(9-11(2)28-10)15-12(18-25-5-6-26-18)7-13-16(14(15)20)29-21-17(13)23-3-4-27-19(23)24/h7,10-11,18H,3-6,8-9H2,1-2H3/t10-,11-/m1/s1
InChIKeyYIHDZKAVFIPEFX-GHMZBOCLSA-N
MW407.40 g/mol
LogP2.58
Rot. Bonds3

About 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

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 (PubChem CID 90316778) has the molecular formula C19H22FN3O6 and a molecular weight of 407.40 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]-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]-1,3-oxazolidin-2-one
PubChem CID90316778
Molecular FormulaC19H22FN3O6
Molecular Weight407.40 g/mol
Exact Mass407.15
IUPAC Name3-[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
SMILESC[C@@H]1CN(c2c(C3OCCO3)cc3c(N4CCOC4=O)noc3c2F)C[C@@H](C)O1
InChIInChI=1S/C19H22FN3O6/c1-10-8-22(9-11(2)28-10)15-12(18-25-5-6-26-18)7-13-16(14(15)20)29-21-17(13)23-3-4-27-19(23)24/h7,10-11,18H,3-6,8-9H2,1-2H3/t10-,11-/m1/s1
InChIKeyYIHDZKAVFIPEFX-GHMZBOCLSA-N
XLogP2.58
TPSA86.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.40
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 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]-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]-1,3-oxazolidin-2-one (CID 90316778) is 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.
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]-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]-1,3-oxazolidin-2-one is C[C@@H]1CN(c2c(C3OCCO3)cc3c(N4CCOC4=O)noc3c2F)C[C@@H](C)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]-1,3-oxazolidin-2-one?
The InChIKey is YIHDZKAVFIPEFX-GHMZBOCLSA-N. The full InChI is InChI=1S/C19H22FN3O6/c1-10-8-22(9-11(2)28-10)15-12(18-25-5-6-26-18)7-13-16(14(15)20)29-21-17(13)23-3-4-27-19(23)24/h7,10-11,18H,3-6,8-9H2,1-2H3/t10-,11-/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]-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]-1,3-oxazolidin-2-one has a molecular weight of 407.40 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 8 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]-1,3-oxazolidin-2-one is sourced from PubChem (CID 90316778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).