methyl 3-(2,6-dichlorophenyl)-5-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]-1,2-oxazole-4-carboxylate

C21H15Cl2N3O5 — CID 108746344

IUPACmethyl 3-(2,6-dichlorophenyl)-5-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(-c2c(Cl)cccc2Cl)noc1NC(=O)Cc1noc2ccc(C)cc12
InChIInChI=1S/C21H15Cl2N3O5/c1-10-6-7-15-11(8-10)14(25-30-15)9-16(27)24-20-18(21(28)29-2)19(26-31-20)17-12(22)4-3-5-13(17)23/h3-8H,9H2,1-2H3,(H,24,27)
InChIKeyZWSHURZCZHMDJG-UHFFFAOYSA-N
MW460.27 g/mol
LogP5.07
Rot. Bonds5

About methyl 3-(2,6-dichlorophenyl)-5-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]-1,2-oxazole-4-carboxylate

methyl 3-(2,6-dichlorophenyl)-5-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]-1,2-oxazole-4-carboxylate (PubChem CID 108746344) has the molecular formula C21H15Cl2N3O5 and a molecular weight of 460.27 g/mol. Its IUPAC name is methyl 3-(2,6-dichlorophenyl)-5-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2,6-dichlorophenyl)-5-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]-1,2-oxazole-4-carboxylate
PubChem CID108746344
Molecular FormulaC21H15Cl2N3O5
Molecular Weight460.27 g/mol
Exact Mass459.04
IUPAC Namemethyl 3-(2,6-dichlorophenyl)-5-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(-c2c(Cl)cccc2Cl)noc1NC(=O)Cc1noc2ccc(C)cc12
InChIInChI=1S/C21H15Cl2N3O5/c1-10-6-7-15-11(8-10)14(25-30-15)9-16(27)24-20-18(21(28)29-2)19(26-31-20)17-12(22)4-3-5-13(17)23/h3-8H,9H2,1-2H3,(H,24,27)
InChIKeyZWSHURZCZHMDJG-UHFFFAOYSA-N
XLogP5.07
TPSA107.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.27
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-(2,6-dichlorophenyl)-5-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]-1,2-oxazole-4-carboxylate with MolForge

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Related Compounds

methyl 3-(2,6-dichlorophenyl)-5-[4-(2,6-dimethylphenoxy)butanoylamino]-1,2-oxazole-4-carboxylate
CID 108768600
methyl 3-(2,6-dichlorophenyl)-5-[[(E)-3-(6-methyl-4-oxochromen-3-yl)prop-2-enoyl]amino]-1,2-oxazole-4-carboxylate
CID 108746325
methyl 3-(2,6-dichlorophenyl)-5-[(3-methoxycarbonylbenzoyl)amino]-1,2-oxazole-4-carboxylate
CID 108746352
N-(2-methoxy-5-methylphenyl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 22519804
2-(5-methyl-1,2-benzoxazol-3-yl)-N-(2-methylphenyl)acetamide
CID 22519860
methyl 3-(2,6-dichlorophenyl)-5-(ethylcarbamothioylamino)-1,2-oxazole-4-carboxylate
CID 108783853
2-(5-methyl-1,2-benzoxazol-3-yl)-N-pyridin-2-ylacetamide
CID 22519774
N-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 22519887
methyl 3-(2,6-dichlorophenyl)-5-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-1,2-oxazole-4-carboxylate
CID 108800550
N-ethyl-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 108790457
propyl 4-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoate
CID 108803227
dimethyl 3-(2,6-dichlorophenyl)-1,2-oxazole-4,5-dicarboxylate
CID 2726491

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,6-dichlorophenyl)-5-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]-1,2-oxazole-4-carboxylate?
The IUPAC name of methyl 3-(2,6-dichlorophenyl)-5-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]-1,2-oxazole-4-carboxylate (CID 108746344) is methyl 3-(2,6-dichlorophenyl)-5-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]-1,2-oxazole-4-carboxylate.
What is the SMILES notation for methyl 3-(2,6-dichlorophenyl)-5-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]-1,2-oxazole-4-carboxylate?
The canonical SMILES for methyl 3-(2,6-dichlorophenyl)-5-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]-1,2-oxazole-4-carboxylate is COC(=O)c1c(-c2c(Cl)cccc2Cl)noc1NC(=O)Cc1noc2ccc(C)cc12.
What is the InChIKey of methyl 3-(2,6-dichlorophenyl)-5-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]-1,2-oxazole-4-carboxylate?
The InChIKey is ZWSHURZCZHMDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2N3O5/c1-10-6-7-15-11(8-10)14(25-30-15)9-16(27)24-20-18(21(28)29-2)19(26-31-20)17-12(22)4-3-5-13(17)23/h3-8H,9H2,1-2H3,(H,24,27).
What are the key properties of methyl 3-(2,6-dichlorophenyl)-5-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]-1,2-oxazole-4-carboxylate?
methyl 3-(2,6-dichlorophenyl)-5-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]-1,2-oxazole-4-carboxylate has a molecular weight of 460.27 g/mol, XLogP of 5.07, 5 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-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 108746344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).