[2-(3,5-dichloroanilino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate

C13H10Cl2N2O4 — CID 7737586

IUPAC[2-(3,5-dichloroanilino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
SMILESCc1cc(C(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)on1
InChIInChI=1S/C13H10Cl2N2O4/c1-7-2-11(21-17-7)13(19)20-6-12(18)16-10-4-8(14)3-9(15)5-10/h2-5H,6H2,1H3,(H,16,18)
InChIKeyZSOCICJFDMRATJ-UHFFFAOYSA-N
MW329.14 g/mol
LogP3.09
Rot. Bonds4

About [2-(3,5-dichloroanilino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate

[2-(3,5-dichloroanilino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate (PubChem CID 7737586) has the molecular formula C13H10Cl2N2O4 and a molecular weight of 329.14 g/mol. Its IUPAC name is [2-(3,5-dichloroanilino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Name[2-(3,5-dichloroanilino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
PubChem CID7737586
Molecular FormulaC13H10Cl2N2O4
Molecular Weight329.14 g/mol
Exact Mass328.00
IUPAC Name[2-(3,5-dichloroanilino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
SMILESCc1cc(C(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)on1
InChIInChI=1S/C13H10Cl2N2O4/c1-7-2-11(21-17-7)13(19)20-6-12(18)16-10-4-8(14)3-9(15)5-10/h2-5H,6H2,1H3,(H,16,18)
InChIKeyZSOCICJFDMRATJ-UHFFFAOYSA-N
XLogP3.09
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.14
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-chloro-2-nitroanilino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
CID 7737610
[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
CID 18199701
4-O-[2-(3,5-dichloroanilino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7296675
[2-(3,5-dichloroanilino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 7469411
[2-[(5-bromo-3-ethoxycarbonyl-4-phenylthiophen-2-yl)amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
CID 55394612
[2-[(3-ethoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
CID 7737633
(2,4,6-trichlorophenyl) 3-methyl-1,2-oxazole-5-carboxylate
CID 55386516
[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
CID 18208868
[2-(3-chloroanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2682165
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
CID 8646371
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2,6-dichlorobenzoate
CID 18128885
[2-(3,5-dichloroanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2334993

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dichloroanilino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate?
The IUPAC name of [2-(3,5-dichloroanilino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate (CID 7737586) is [2-(3,5-dichloroanilino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate.
What is the SMILES notation for [2-(3,5-dichloroanilino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate?
The canonical SMILES for [2-(3,5-dichloroanilino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate is Cc1cc(C(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)on1.
What is the InChIKey of [2-(3,5-dichloroanilino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate?
The InChIKey is ZSOCICJFDMRATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O4/c1-7-2-11(21-17-7)13(19)20-6-12(18)16-10-4-8(14)3-9(15)5-10/h2-5H,6H2,1H3,(H,16,18).
What are the key properties of [2-(3,5-dichloroanilino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate?
[2-(3,5-dichloroanilino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate has a molecular weight of 329.14 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dichloroanilino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 7737586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).