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

C22H27F2N3O6 — CID 90284533

IUPAC(4S)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-4-(3-fluoropropyl)-1,3-oxazolidin-2-one
SMILESC[C@@H]1CN(c2c(C3OCCO3)cc3c(N4C(=O)OC[C@@H]4CCCF)noc3c2F)C[C@@H](C)O1
InChIInChI=1S/C22H27F2N3O6/c1-12-9-26(10-13(2)32-12)18-15(21-29-6-7-30-21)8-16-19(17(18)24)33-25-20(16)27-14(4-3-5-23)11-31-22(27)28/h8,12-14,21H,3-7,9-11H2,1-2H3/t12-,13-,14+/m1/s1
InChIKeyOTIYYRVHTUEOJU-MCIONIFRSA-N
MW467.47 g/mol
LogP3.70
Rot. Bonds6

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

(4S)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-4-(3-fluoropropyl)-1,3-oxazolidin-2-one (PubChem CID 90284533) has the molecular formula C22H27F2N3O6 and a molecular weight of 467.47 g/mol. Its IUPAC name is (4S)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-4-(3-fluoropropyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-4-(3-fluoropropyl)-1,3-oxazolidin-2-one
PubChem CID90284533
Molecular FormulaC22H27F2N3O6
Molecular Weight467.47 g/mol
Exact Mass467.19
IUPAC Name(4S)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-4-(3-fluoropropyl)-1,3-oxazolidin-2-one
SMILESC[C@@H]1CN(c2c(C3OCCO3)cc3c(N4C(=O)OC[C@@H]4CCCF)noc3c2F)C[C@@H](C)O1
InChIInChI=1S/C22H27F2N3O6/c1-12-9-26(10-13(2)32-12)18-15(21-29-6-7-30-21)8-16-19(17(18)24)33-25-20(16)27-14(4-3-5-23)11-31-22(27)28/h8,12-14,21H,3-7,9-11H2,1-2H3/t12-,13-,14+/m1/s1
InChIKeyOTIYYRVHTUEOJU-MCIONIFRSA-N
XLogP3.70
TPSA86.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.47
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (4S)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-4-(3-fluoropropyl)-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 (4S)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-4-(3-fluoropropyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-4-(3-fluoropropyl)-1,3-oxazolidin-2-one (CID 90284533) is (4S)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-4-(3-fluoropropyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-4-(3-fluoropropyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-4-(3-fluoropropyl)-1,3-oxazolidin-2-one is C[C@@H]1CN(c2c(C3OCCO3)cc3c(N4C(=O)OC[C@@H]4CCCF)noc3c2F)C[C@@H](C)O1.
What is the InChIKey of (4S)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-4-(3-fluoropropyl)-1,3-oxazolidin-2-one?
The InChIKey is OTIYYRVHTUEOJU-MCIONIFRSA-N. The full InChI is InChI=1S/C22H27F2N3O6/c1-12-9-26(10-13(2)32-12)18-15(21-29-6-7-30-21)8-16-19(17(18)24)33-25-20(16)27-14(4-3-5-23)11-31-22(27)28/h8,12-14,21H,3-7,9-11H2,1-2H3/t12-,13-,14+/m1/s1.
What are the key properties of (4S)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-4-(3-fluoropropyl)-1,3-oxazolidin-2-one?
(4S)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-4-(3-fluoropropyl)-1,3-oxazolidin-2-one has a molecular weight of 467.47 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-4-(3-fluoropropyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 90284533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).