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

C20H24ClN3O6 — CID 90284135

IUPAC3-[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
SMILESCC1COC(=O)N1c1noc2c(Cl)c(N3C[C@@H](C)O[C@H](C)C3)c(C3OCCO3)cc12
InChIInChI=1S/C20H24ClN3O6/c1-10-9-28-20(25)24(10)18-14-6-13(19-26-4-5-27-19)16(15(21)17(14)30-22-18)23-7-11(2)29-12(3)8-23/h6,10-12,19H,4-5,7-9H2,1-3H3/t10?,11-,12-/m1/s1
InChIKeyGDIMODKFOKWSFG-PQDIPPBSSA-N
MW437.88 g/mol
LogP3.49
Rot. Bonds3

About 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

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 (PubChem CID 90284135) has the molecular formula C20H24ClN3O6 and a molecular weight of 437.88 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID90284135
Molecular FormulaC20H24ClN3O6
Molecular Weight437.88 g/mol
Exact Mass437.14
IUPAC Name3-[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
SMILESCC1COC(=O)N1c1noc2c(Cl)c(N3C[C@@H](C)O[C@H](C)C3)c(C3OCCO3)cc12
InChIInChI=1S/C20H24ClN3O6/c1-10-9-28-20(25)24(10)18-14-6-13(19-26-4-5-27-19)16(15(21)17(14)30-22-18)23-7-11(2)29-12(3)8-23/h6,10-12,19H,4-5,7-9H2,1-3H3/t10?,11-,12-/m1/s1
InChIKeyGDIMODKFOKWSFG-PQDIPPBSSA-N
XLogP3.49
TPSA86.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.88
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1COC(=O)N1c1noc2c(Cl)c(N3C[C@@H](C)O[C@H](C)C3)c(C3OCCO3)cc12.
What is the InChIKey of 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?
The InChIKey is GDIMODKFOKWSFG-PQDIPPBSSA-N. The full InChI is InChI=1S/C20H24ClN3O6/c1-10-9-28-20(25)24(10)18-14-6-13(19-26-4-5-27-19)16(15(21)17(14)30-22-18)23-7-11(2)29-12(3)8-23/h6,10-12,19H,4-5,7-9H2,1-3H3/t10?,11-,12-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 437.88 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 90284135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).