(4R)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-4-(methylsulfonylmethyl)-1,3-oxazolidin-2-one

C21H26FN3O8S — CID 90284535

IUPAC(4R)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-4-(methylsulfonylmethyl)-1,3-oxazolidin-2-one
SMILESC[C@@H]1CN(c2c(C3OCCO3)cc3c(N4C(=O)OC[C@@H]4CS(C)(=O)=O)noc3c2F)C[C@@H](C)O1
InChIInChI=1S/C21H26FN3O8S/c1-11-7-24(8-12(2)32-11)17-14(20-29-4-5-30-20)6-15-18(16(17)22)33-23-19(15)25-13(9-31-21(25)26)10-34(3,27)28/h6,11-13,20H,4-5,7-10H2,1-3H3/t11-,12-,13-/m1/s1
InChIKeyVTUXJXICZZYIQL-JHJVBQTASA-N
MW499.52 g/mol
LogP2.00
Rot. Bonds5

About (4R)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-4-(methylsulfonylmethyl)-1,3-oxazolidin-2-one

(4R)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-4-(methylsulfonylmethyl)-1,3-oxazolidin-2-one (PubChem CID 90284535) has the molecular formula C21H26FN3O8S and a molecular weight of 499.52 g/mol. Its IUPAC name is (4R)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-4-(methylsulfonylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-4-(methylsulfonylmethyl)-1,3-oxazolidin-2-one
PubChem CID90284535
Molecular FormulaC21H26FN3O8S
Molecular Weight499.52 g/mol
Exact Mass499.14
IUPAC Name(4R)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-4-(methylsulfonylmethyl)-1,3-oxazolidin-2-one
SMILESC[C@@H]1CN(c2c(C3OCCO3)cc3c(N4C(=O)OC[C@@H]4CS(C)(=O)=O)noc3c2F)C[C@@H](C)O1
InChIInChI=1S/C21H26FN3O8S/c1-11-7-24(8-12(2)32-11)17-14(20-29-4-5-30-20)6-15-18(16(17)22)33-23-19(15)25-13(9-31-21(25)26)10-34(3,27)28/h6,11-13,20H,4-5,7-10H2,1-3H3/t11-,12-,13-/m1/s1
InChIKeyVTUXJXICZZYIQL-JHJVBQTASA-N
XLogP2.00
TPSA120.64 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.52
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze (4R)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-4-(methylsulfonylmethyl)-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-4-(methylsulfonylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-4-(methylsulfonylmethyl)-1,3-oxazolidin-2-one (CID 90284535) is (4R)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-4-(methylsulfonylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-4-(methylsulfonylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-4-(methylsulfonylmethyl)-1,3-oxazolidin-2-one is C[C@@H]1CN(c2c(C3OCCO3)cc3c(N4C(=O)OC[C@@H]4CS(C)(=O)=O)noc3c2F)C[C@@H](C)O1.
What is the InChIKey of (4R)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-4-(methylsulfonylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is VTUXJXICZZYIQL-JHJVBQTASA-N. The full InChI is InChI=1S/C21H26FN3O8S/c1-11-7-24(8-12(2)32-11)17-14(20-29-4-5-30-20)6-15-18(16(17)22)33-23-19(15)25-13(9-31-21(25)26)10-34(3,27)28/h6,11-13,20H,4-5,7-10H2,1-3H3/t11-,12-,13-/m1/s1.
What are the key properties of (4R)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-4-(methylsulfonylmethyl)-1,3-oxazolidin-2-one?
(4R)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-4-(methylsulfonylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 499.52 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-4-(methylsulfonylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 90284535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).