ethyl 5-cyclopropyl-4-[3,4-dichloro-2-[methoxycarbonyl(methyl)amino]benzoyl]-1,2-oxazole-3-carboxylate

C19H18Cl2N2O6 — CID 22620960

IUPACethyl 5-cyclopropyl-4-[3,4-dichloro-2-[methoxycarbonyl(methyl)amino]benzoyl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1noc(C2CC2)c1C(=O)c1ccc(Cl)c(Cl)c1N(C)C(=O)OC
InChIInChI=1S/C19H18Cl2N2O6/c1-4-28-18(25)14-12(17(29-22-14)9-5-6-9)16(24)10-7-8-11(20)13(21)15(10)23(2)19(26)27-3/h7-9H,4-6H2,1-3H3
InChIKeyVGLRHUCDFYXYTD-UHFFFAOYSA-N
MW441.27 g/mol
LogP4.47
Rot. Bonds6

About ethyl 5-cyclopropyl-4-[3,4-dichloro-2-[methoxycarbonyl(methyl)amino]benzoyl]-1,2-oxazole-3-carboxylate

ethyl 5-cyclopropyl-4-[3,4-dichloro-2-[methoxycarbonyl(methyl)amino]benzoyl]-1,2-oxazole-3-carboxylate (PubChem CID 22620960) has the molecular formula C19H18Cl2N2O6 and a molecular weight of 441.27 g/mol. Its IUPAC name is ethyl 5-cyclopropyl-4-[3,4-dichloro-2-[methoxycarbonyl(methyl)amino]benzoyl]-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-cyclopropyl-4-[3,4-dichloro-2-[methoxycarbonyl(methyl)amino]benzoyl]-1,2-oxazole-3-carboxylate
PubChem CID22620960
Molecular FormulaC19H18Cl2N2O6
Molecular Weight441.27 g/mol
Exact Mass440.05
IUPAC Nameethyl 5-cyclopropyl-4-[3,4-dichloro-2-[methoxycarbonyl(methyl)amino]benzoyl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1noc(C2CC2)c1C(=O)c1ccc(Cl)c(Cl)c1N(C)C(=O)OC
InChIInChI=1S/C19H18Cl2N2O6/c1-4-28-18(25)14-12(17(29-22-14)9-5-6-9)16(24)10-7-8-11(20)13(21)15(10)23(2)19(26)27-3/h7-9H,4-6H2,1-3H3
InChIKeyVGLRHUCDFYXYTD-UHFFFAOYSA-N
XLogP4.47
TPSA98.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.27
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-cyclopropyl-4-[3,4-dichloro-2-[methoxycarbonyl(methyl)amino]benzoyl]-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-cyclopropyl-4-[3,4-dichloro-2-[methoxycarbonyl(methyl)amino]benzoyl]-1,2-oxazole-3-carboxylate (CID 22620960) is ethyl 5-cyclopropyl-4-[3,4-dichloro-2-[methoxycarbonyl(methyl)amino]benzoyl]-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-cyclopropyl-4-[3,4-dichloro-2-[methoxycarbonyl(methyl)amino]benzoyl]-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-cyclopropyl-4-[3,4-dichloro-2-[methoxycarbonyl(methyl)amino]benzoyl]-1,2-oxazole-3-carboxylate is CCOC(=O)c1noc(C2CC2)c1C(=O)c1ccc(Cl)c(Cl)c1N(C)C(=O)OC.
What is the InChIKey of ethyl 5-cyclopropyl-4-[3,4-dichloro-2-[methoxycarbonyl(methyl)amino]benzoyl]-1,2-oxazole-3-carboxylate?
The InChIKey is VGLRHUCDFYXYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O6/c1-4-28-18(25)14-12(17(29-22-14)9-5-6-9)16(24)10-7-8-11(20)13(21)15(10)23(2)19(26)27-3/h7-9H,4-6H2,1-3H3.
What are the key properties of ethyl 5-cyclopropyl-4-[3,4-dichloro-2-[methoxycarbonyl(methyl)amino]benzoyl]-1,2-oxazole-3-carboxylate?
ethyl 5-cyclopropyl-4-[3,4-dichloro-2-[methoxycarbonyl(methyl)amino]benzoyl]-1,2-oxazole-3-carboxylate has a molecular weight of 441.27 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-cyclopropyl-4-[3,4-dichloro-2-[methoxycarbonyl(methyl)amino]benzoyl]-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 22620960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).