6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-[(5R)-5-methyl-2-oxo-1,3-thiazolidin-3-yl]-1,2-benzoxazole-5-carbaldehyde

C18H20FN3O4S — CID 146499759

IUPAC6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-[(5R)-5-methyl-2-oxo-1,3-thiazolidin-3-yl]-1,2-benzoxazole-5-carbaldehyde
SMILESC[C@@H]1CN(c2c(C=O)cc3c(N4C[C@@H](C)SC4=O)noc3c2F)C[C@@H](C)O1
InChIInChI=1S/C18H20FN3O4S/c1-9-5-21(6-10(2)25-9)15-12(8-23)4-13-16(14(15)19)26-20-17(13)22-7-11(3)27-18(22)24/h4,8-11H,5-7H2,1-3H3/t9-,10-,11-/m1/s1
InChIKeyGHXIETMJAFJJAH-GMTAPVOTSA-N
MW393.44 g/mol
LogP3.45
Rot. Bonds3

About 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-[(5R)-5-methyl-2-oxo-1,3-thiazolidin-3-yl]-1,2-benzoxazole-5-carbaldehyde

6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-[(5R)-5-methyl-2-oxo-1,3-thiazolidin-3-yl]-1,2-benzoxazole-5-carbaldehyde (PubChem CID 146499759) has the molecular formula C18H20FN3O4S and a molecular weight of 393.44 g/mol. Its IUPAC name is 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-[(5R)-5-methyl-2-oxo-1,3-thiazolidin-3-yl]-1,2-benzoxazole-5-carbaldehyde.

Molecular Properties

Compound Name6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-[(5R)-5-methyl-2-oxo-1,3-thiazolidin-3-yl]-1,2-benzoxazole-5-carbaldehyde
PubChem CID146499759
Molecular FormulaC18H20FN3O4S
Molecular Weight393.44 g/mol
Exact Mass393.12
IUPAC Name6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-[(5R)-5-methyl-2-oxo-1,3-thiazolidin-3-yl]-1,2-benzoxazole-5-carbaldehyde
SMILESC[C@@H]1CN(c2c(C=O)cc3c(N4C[C@@H](C)SC4=O)noc3c2F)C[C@@H](C)O1
InChIInChI=1S/C18H20FN3O4S/c1-9-5-21(6-10(2)25-9)15-12(8-23)4-13-16(14(15)19)26-20-17(13)22-7-11(3)27-18(22)24/h4,8-11H,5-7H2,1-3H3/t9-,10-,11-/m1/s1
InChIKeyGHXIETMJAFJJAH-GMTAPVOTSA-N
XLogP3.45
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-[(5R)-5-methyl-2-oxo-1,3-thiazolidin-3-yl]-1,2-benzoxazole-5-carbaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-3-(triazol-2-yl)-1,2-benzoxazole-5-carbaldehyde
CID 91462461
7-fluoro-3-[5-(hydroxymethyl)-2-oxo-1,3-thiazolidin-3-yl]-6-(2-methylmorpholin-4-yl)-1,2-benzoxazole-5-carbaldehyde
CID 146539127
7-fluoro-6-(2-methylmorpholin-4-yl)-3-(2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)-1,2-benzoxazole-5-carbaldehyde
CID 146539737
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-2-methyl-3-oxo-1,2-benzoxazole-5-carbaldehyde
CID 87368817
6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-formyl-3-[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]-1,2-benzoxazole-7-carbonitrile
CID 163522734
6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-[(5S)-2-oxo-5-phenyl-1,3-thiazolidin-3-yl]-1-benzofuran-5-carbaldehyde
CID 156654739
3-(4,4-difluoropiperidine-1-carbonyl)-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazole-5-carbaldehyde
CID 87368803
6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-[(1-methylpyrazol-4-yl)methylamino]-1,2-benzoxazole-5-carbaldehyde
CID 87369427
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-(1H-imidazol-5-ylmethylamino)-1,2-benzoxazole-5-carbaldehyde
CID 87368695
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
CID 90316778
3-[6-[(2R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one;fluoromethane
CID 144673365
6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-formyl-3-(4-methyl-2-oxo-1,3-oxazol-3-yl)-1,2-benzoxazole-7-carbonitrile
CID 175274625

Frequently Asked Questions

What is the IUPAC name of 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-[(5R)-5-methyl-2-oxo-1,3-thiazolidin-3-yl]-1,2-benzoxazole-5-carbaldehyde?
The IUPAC name of 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-[(5R)-5-methyl-2-oxo-1,3-thiazolidin-3-yl]-1,2-benzoxazole-5-carbaldehyde (CID 146499759) is 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-[(5R)-5-methyl-2-oxo-1,3-thiazolidin-3-yl]-1,2-benzoxazole-5-carbaldehyde.
What is the SMILES notation for 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-[(5R)-5-methyl-2-oxo-1,3-thiazolidin-3-yl]-1,2-benzoxazole-5-carbaldehyde?
The canonical SMILES for 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-[(5R)-5-methyl-2-oxo-1,3-thiazolidin-3-yl]-1,2-benzoxazole-5-carbaldehyde is C[C@@H]1CN(c2c(C=O)cc3c(N4C[C@@H](C)SC4=O)noc3c2F)C[C@@H](C)O1.
What is the InChIKey of 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-[(5R)-5-methyl-2-oxo-1,3-thiazolidin-3-yl]-1,2-benzoxazole-5-carbaldehyde?
The InChIKey is GHXIETMJAFJJAH-GMTAPVOTSA-N. The full InChI is InChI=1S/C18H20FN3O4S/c1-9-5-21(6-10(2)25-9)15-12(8-23)4-13-16(14(15)19)26-20-17(13)22-7-11(3)27-18(22)24/h4,8-11H,5-7H2,1-3H3/t9-,10-,11-/m1/s1.
What are the key properties of 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-[(5R)-5-methyl-2-oxo-1,3-thiazolidin-3-yl]-1,2-benzoxazole-5-carbaldehyde?
6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-[(5R)-5-methyl-2-oxo-1,3-thiazolidin-3-yl]-1,2-benzoxazole-5-carbaldehyde has a molecular weight of 393.44 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-[(5R)-5-methyl-2-oxo-1,3-thiazolidin-3-yl]-1,2-benzoxazole-5-carbaldehyde is sourced from PubChem (CID 146499759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).