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

C21H26FN3O7 — CID 90283883

IUPAC(5R)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
SMILESCOC[C@H]1CN(c2noc3c(F)c(N4C[C@@H](C)O[C@H](C)C4)c(C4OCCO4)cc23)C(=O)O1
InChIInChI=1S/C21H26FN3O7/c1-11-7-24(8-12(2)30-11)17-14(20-28-4-5-29-20)6-15-18(16(17)22)32-23-19(15)25-9-13(10-27-3)31-21(25)26/h6,11-13,20H,4-5,7-10H2,1-3H3/t11-,12-,13-/m1/s1
InChIKeyOVNMWCOIYMOTSA-JHJVBQTASA-N
MW451.45 g/mol
LogP2.60
Rot. Bonds5

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

(5R)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-(methoxymethyl)-1,3-oxazolidin-2-one (PubChem CID 90283883) has the molecular formula C21H26FN3O7 and a molecular weight of 451.45 g/mol. Its IUPAC name is (5R)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-(methoxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
PubChem CID90283883
Molecular FormulaC21H26FN3O7
Molecular Weight451.45 g/mol
Exact Mass451.18
IUPAC Name(5R)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
SMILESCOC[C@H]1CN(c2noc3c(F)c(N4C[C@@H](C)O[C@H](C)C4)c(C4OCCO4)cc23)C(=O)O1
InChIInChI=1S/C21H26FN3O7/c1-11-7-24(8-12(2)30-11)17-14(20-28-4-5-29-20)6-15-18(16(17)22)32-23-19(15)25-9-13(10-27-3)31-21(25)26/h6,11-13,20H,4-5,7-10H2,1-3H3/t11-,12-,13-/m1/s1
InChIKeyOVNMWCOIYMOTSA-JHJVBQTASA-N
XLogP2.60
TPSA95.73 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.45
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Related Compounds

(4S)-3-[5-(1,3-Dioxolan-2-yl)-6,7-difluoro-1,2-benzisoxazol-3-yl]-4-methyl-2-oxazolidinone
CID 129125435
6-[(2R,6R)-2,6-Dimethyl-4-morpholinyl]-7-fluoro-3-[(4S)-4-methyl-2-oxo-3-oxazolidinyl]-1,2-benzisoxazole-5-carboxaldehyde
CID 155930900
3-(dimethylamino)-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazole-5-carbaldehyde
CID 87369112
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-morpholin-4-yl-1,2-benzoxazole-5-carbaldehyde
CID 87369200
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-pyrrolidin-1-yl-1,2-benzoxazole-5-carbaldehyde
CID 87369247
3-(diethylamino)-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazole-5-carbaldehyde
CID 87369374
tert-butyl 4-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-5-formyl-1,2-benzoxazol-3-yl]piperazine-1-carboxylate
CID 87369570
6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-[methyl(propyl)amino]-1,2-benzoxazole-5-carbaldehyde
CID 87369671
(5R)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 90283546
(5R)-3-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-methyl-1,3-oxazolidin-2-one
CID 90283816
(4S)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-4-[(E)-hydroxyiminomethyl]-1,3-oxazolidin-2-one
CID 90283829
3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 90283884

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-(methoxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-(methoxymethyl)-1,3-oxazolidin-2-one (CID 90283883) is (5R)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-(methoxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-(methoxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-(methoxymethyl)-1,3-oxazolidin-2-one is COC[C@H]1CN(c2noc3c(F)c(N4C[C@@H](C)O[C@H](C)C4)c(C4OCCO4)cc23)C(=O)O1.
What is the InChIKey of (5R)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-(methoxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is OVNMWCOIYMOTSA-JHJVBQTASA-N. The full InChI is InChI=1S/C21H26FN3O7/c1-11-7-24(8-12(2)30-11)17-14(20-28-4-5-29-20)6-15-18(16(17)22)32-23-19(15)25-9-13(10-27-3)31-21(25)26/h6,11-13,20H,4-5,7-10H2,1-3H3/t11-,12-,13-/m1/s1.
What are the key properties of (5R)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-(methoxymethyl)-1,3-oxazolidin-2-one?
(5R)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-(methoxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 451.45 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-(methoxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 90283883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).