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

C20H24FN3O6 — CID 90283966

IUPAC(4S)-3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-4-methyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1CN(c2c(C3OCCO3)cc3c(N4C(=O)OC[C@@H]4C)noc3c2F)C[C@H](C)O1
InChIInChI=1S/C20H24FN3O6/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+/m0/s1
InChIKeyFHZONBWWDGRYDN-SDDRHHMPSA-N
MW421.43 g/mol
LogP2.97
Rot. Bonds3

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

(4S)-3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 90283966) has the molecular formula C20H24FN3O6 and a molecular weight of 421.43 g/mol. Its IUPAC name is (4S)-3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID90283966
Molecular FormulaC20H24FN3O6
Molecular Weight421.43 g/mol
Exact Mass421.16
IUPAC Name(4S)-3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-4-methyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1CN(c2c(C3OCCO3)cc3c(N4C(=O)OC[C@@H]4C)noc3c2F)C[C@H](C)O1
InChIInChI=1S/C20H24FN3O6/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+/m0/s1
InChIKeyFHZONBWWDGRYDN-SDDRHHMPSA-N
XLogP2.97
TPSA86.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.43
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (4S)-3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-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 (4S)-3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-4-methyl-1,3-oxazolidin-2-one (CID 90283966) is (4S)-3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-4-methyl-1,3-oxazolidin-2-one is C[C@@H]1CN(c2c(C3OCCO3)cc3c(N4C(=O)OC[C@@H]4C)noc3c2F)C[C@H](C)O1.
What is the InChIKey of (4S)-3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is FHZONBWWDGRYDN-SDDRHHMPSA-N. The full InChI is InChI=1S/C20H24FN3O6/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+/m0/s1.
What are the key properties of (4S)-3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-4-methyl-1,3-oxazolidin-2-one?
(4S)-3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 421.43 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 90283966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).