methyl 3-(2,6-dichlorophenyl)-5-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,2-oxazole-4-carboxylate

C19H19Cl2N3O6 — CID 108746329

IUPACmethyl 3-(2,6-dichlorophenyl)-5-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,2-oxazole-4-carboxylate
SMILESCOCCN1CC(C(=O)Nc2onc(-c3c(Cl)cccc3Cl)c2C(=O)OC)CC1=O
InChIInChI=1S/C19H19Cl2N3O6/c1-28-7-6-24-9-10(8-13(24)25)17(26)22-18-15(19(27)29-2)16(23-30-18)14-11(20)4-3-5-12(14)21/h3-5,10H,6-9H2,1-2H3,(H,22,26)
InChIKeyKRFSZOFRAMXKNO-UHFFFAOYSA-N
MW456.28 g/mol
LogP2.87
Rot. Bonds7

About methyl 3-(2,6-dichlorophenyl)-5-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,2-oxazole-4-carboxylate

methyl 3-(2,6-dichlorophenyl)-5-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,2-oxazole-4-carboxylate (PubChem CID 108746329) has the molecular formula C19H19Cl2N3O6 and a molecular weight of 456.28 g/mol. Its IUPAC name is methyl 3-(2,6-dichlorophenyl)-5-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2,6-dichlorophenyl)-5-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,2-oxazole-4-carboxylate
PubChem CID108746329
Molecular FormulaC19H19Cl2N3O6
Molecular Weight456.28 g/mol
Exact Mass455.07
IUPAC Namemethyl 3-(2,6-dichlorophenyl)-5-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,2-oxazole-4-carboxylate
SMILESCOCCN1CC(C(=O)Nc2onc(-c3c(Cl)cccc3Cl)c2C(=O)OC)CC1=O
InChIInChI=1S/C19H19Cl2N3O6/c1-28-7-6-24-9-10(8-13(24)25)17(26)22-18-15(19(27)29-2)16(23-30-18)14-11(20)4-3-5-12(14)21/h3-5,10H,6-9H2,1-2H3,(H,22,26)
InChIKeyKRFSZOFRAMXKNO-UHFFFAOYSA-N
XLogP2.87
TPSA110.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-(2,6-dichlorophenyl)-5-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,2-oxazole-4-carboxylate with MolForge

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Related Compounds

methyl 3-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 108805610
(3R)-1-(2-methoxyethyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 94045996
methyl 4-(1,3-benzothiazol-2-yl)-5-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylfuran-3-carboxylate
CID 108738968
methyl 3-(2,6-dichlorophenyl)-5-[(3-methoxycarbonylbenzoyl)amino]-1,2-oxazole-4-carboxylate
CID 108746352
dimethyl 2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]benzene-1,4-dicarboxylate
CID 108793757
(3S)-1-(2-methoxyethyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 94046070
ethyl 3-(4-chlorophenyl)-5-[[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]amino]-1,2-oxazole-4-carboxylate
CID 108800338
methyl 3-(2,6-dichlorophenyl)-5-(ethylcarbamothioylamino)-1,2-oxazole-4-carboxylate
CID 108783853
methyl 5-(cyclohexylcarbamothioylamino)-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carboxylate
CID 108783852
1-(2-methoxyethyl)-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 136834843
N-(1,3-benzothiazol-2-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 108805574
N-(4-chloro-3-nitrophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 108805559

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,6-dichlorophenyl)-5-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,2-oxazole-4-carboxylate?
The IUPAC name of methyl 3-(2,6-dichlorophenyl)-5-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,2-oxazole-4-carboxylate (CID 108746329) is methyl 3-(2,6-dichlorophenyl)-5-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,2-oxazole-4-carboxylate.
What is the SMILES notation for methyl 3-(2,6-dichlorophenyl)-5-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,2-oxazole-4-carboxylate?
The canonical SMILES for methyl 3-(2,6-dichlorophenyl)-5-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,2-oxazole-4-carboxylate is COCCN1CC(C(=O)Nc2onc(-c3c(Cl)cccc3Cl)c2C(=O)OC)CC1=O.
What is the InChIKey of methyl 3-(2,6-dichlorophenyl)-5-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,2-oxazole-4-carboxylate?
The InChIKey is KRFSZOFRAMXKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O6/c1-28-7-6-24-9-10(8-13(24)25)17(26)22-18-15(19(27)29-2)16(23-30-18)14-11(20)4-3-5-12(14)21/h3-5,10H,6-9H2,1-2H3,(H,22,26).
What are the key properties of methyl 3-(2,6-dichlorophenyl)-5-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,2-oxazole-4-carboxylate?
methyl 3-(2,6-dichlorophenyl)-5-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,2-oxazole-4-carboxylate has a molecular weight of 456.28 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,6-dichlorophenyl)-5-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 108746329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).