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

C21H26FN3O6 — CID 144673386

IUPAC3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one;ethene
SMILESC=C.C[C@@H]1CN(c2c(C3OCCO3)cc3c(N4CCOC4=O)noc3c2F)C[C@@H](C)O1
InChIInChI=1S/C19H22FN3O6.C2H4/c1-10-8-22(9-11(2)28-10)15-12(18-25-5-6-26-18)7-13-16(14(15)20)29-21-17(13)23-3-4-27-19(23)24;1-2/h7,10-11,18H,3-6,8-9H2,1-2H3;1-2H2/t10-,11-;/m1./s1
InChIKeyOADQMBGIPFOHGX-NDXYWBNTSA-N
MW435.45 g/mol
LogP3.38
Rot. Bonds3

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

3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one;ethene (PubChem CID 144673386) has the molecular formula C21H26FN3O6 and a molecular weight of 435.45 g/mol. Its IUPAC name is 3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one;ethene.

Molecular Properties

Compound Name3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one;ethene
PubChem CID144673386
Molecular FormulaC21H26FN3O6
Molecular Weight435.45 g/mol
Exact Mass435.18
IUPAC Name3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one;ethene
SMILESC=C.C[C@@H]1CN(c2c(C3OCCO3)cc3c(N4CCOC4=O)noc3c2F)C[C@@H](C)O1
InChIInChI=1S/C19H22FN3O6.C2H4/c1-10-8-22(9-11(2)28-10)15-12(18-25-5-6-26-18)7-13-16(14(15)20)29-21-17(13)23-3-4-27-19(23)24;1-2/h7,10-11,18H,3-6,8-9H2,1-2H3;1-2H2/t10-,11-;/m1./s1
InChIKeyOADQMBGIPFOHGX-NDXYWBNTSA-N
XLogP3.38
TPSA86.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.45
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one;ethene?
The IUPAC name of 3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one;ethene (CID 144673386) is 3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one;ethene.
What is the SMILES notation for 3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one;ethene?
The canonical SMILES for 3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one;ethene is C=C.C[C@@H]1CN(c2c(C3OCCO3)cc3c(N4CCOC4=O)noc3c2F)C[C@@H](C)O1.
What is the InChIKey of 3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one;ethene?
The InChIKey is OADQMBGIPFOHGX-NDXYWBNTSA-N. The full InChI is InChI=1S/C19H22FN3O6.C2H4/c1-10-8-22(9-11(2)28-10)15-12(18-25-5-6-26-18)7-13-16(14(15)20)29-21-17(13)23-3-4-27-19(23)24;1-2/h7,10-11,18H,3-6,8-9H2,1-2H3;1-2H2/t10-,11-;/m1./s1.
What are the key properties of 3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one;ethene?
3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one;ethene has a molecular weight of 435.45 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one;ethene is sourced from PubChem (CID 144673386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).