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

C20H21FN4O6 — CID 144673394

IUPAC3-[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
SMILESCC1CN(c2c(C3OCCO3)cc3c(N4CC(C#N)OC4=O)noc3c2F)C[C@@H](C)O1
InChIInChI=1S/C20H21FN4O6/c1-10-7-24(8-11(2)29-10)16-13(19-27-3-4-28-19)5-14-17(15(16)21)31-23-18(14)25-9-12(6-22)30-20(25)26/h5,10-12,19H,3-4,7-9H2,1-2H3/t10-,11?,12?/m1/s1
InChIKeyOJILNKAOFUFQGN-VOMCLLRMSA-N
MW432.41 g/mol
LogP2.47
Rot. Bonds3

About 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

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 (PubChem CID 144673394) has the molecular formula C20H21FN4O6 and a molecular weight of 432.41 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID144673394
Molecular FormulaC20H21FN4O6
Molecular Weight432.41 g/mol
Exact Mass432.14
IUPAC Name3-[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
SMILESCC1CN(c2c(C3OCCO3)cc3c(N4CC(C#N)OC4=O)noc3c2F)C[C@@H](C)O1
InChIInChI=1S/C20H21FN4O6/c1-10-7-24(8-11(2)29-10)16-13(19-27-3-4-28-19)5-14-17(15(16)21)31-23-18(14)25-9-12(6-22)30-20(25)26/h5,10-12,19H,3-4,7-9H2,1-2H3/t10-,11?,12?/m1/s1
InChIKeyOJILNKAOFUFQGN-VOMCLLRMSA-N
XLogP2.47
TPSA110.29 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.41
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CN(c2c(C3OCCO3)cc3c(N4CC(C#N)OC4=O)noc3c2F)C[C@@H](C)O1.
What is the InChIKey of 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?
The InChIKey is OJILNKAOFUFQGN-VOMCLLRMSA-N. The full InChI is InChI=1S/C20H21FN4O6/c1-10-7-24(8-11(2)29-10)16-13(19-27-3-4-28-19)5-14-17(15(16)21)31-23-18(14)25-9-12(6-22)30-20(25)26/h5,10-12,19H,3-4,7-9H2,1-2H3/t10-,11?,12?/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 432.41 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 144673394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).