[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2,6-dichlorobenzoate

C13H10Cl2N2O4 — CID 18128885

IUPAC[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2,6-dichlorobenzoate
SMILESCc1cc(NC(=O)COC(=O)c2c(Cl)cccc2Cl)on1
InChIInChI=1S/C13H10Cl2N2O4/c1-7-5-11(21-17-7)16-10(18)6-20-13(19)12-8(14)3-2-4-9(12)15/h2-5H,6H2,1H3,(H,16,18)
InChIKeyFRJGKTZONRKXHM-UHFFFAOYSA-N
MW329.14 g/mol
LogP3.09
Rot. Bonds4

About [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2,6-dichlorobenzoate

[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2,6-dichlorobenzoate (PubChem CID 18128885) has the molecular formula C13H10Cl2N2O4 and a molecular weight of 329.14 g/mol. Its IUPAC name is [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2,6-dichlorobenzoate.

Molecular Properties

Compound Name[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2,6-dichlorobenzoate
PubChem CID18128885
Molecular FormulaC13H10Cl2N2O4
Molecular Weight329.14 g/mol
Exact Mass328.00
IUPAC Name[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2,6-dichlorobenzoate
SMILESCc1cc(NC(=O)COC(=O)c2c(Cl)cccc2Cl)on1
InChIInChI=1S/C13H10Cl2N2O4/c1-7-5-11(21-17-7)16-10(18)6-20-13(19)12-8(14)3-2-4-9(12)15/h2-5H,6H2,1H3,(H,16,18)
InChIKeyFRJGKTZONRKXHM-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-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2,3-dichlorobenzoate
CID 18128883
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2,4,5-trimethylfuran-3-carboxylate
CID 18158113
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 2500864
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate
CID 16598073
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] pyridine-2-carboxylate
CID 18157596
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] naphthalene-2-carboxylate
CID 18128877
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 16600981
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-methylfuran-2-carboxylate
CID 18158100
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 18157227
[2-(4-methylanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2489040
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 7723787
2-(2,5-dichlorophenoxy)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 17445480

Frequently Asked Questions

What is the IUPAC name of [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2,6-dichlorobenzoate?
The IUPAC name of [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2,6-dichlorobenzoate (CID 18128885) is [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2,6-dichlorobenzoate.
What is the SMILES notation for [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2,6-dichlorobenzoate?
The canonical SMILES for [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2,6-dichlorobenzoate is Cc1cc(NC(=O)COC(=O)c2c(Cl)cccc2Cl)on1.
What is the InChIKey of [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2,6-dichlorobenzoate?
The InChIKey is FRJGKTZONRKXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O4/c1-7-5-11(21-17-7)16-10(18)6-20-13(19)12-8(14)3-2-4-9(12)15/h2-5H,6H2,1H3,(H,16,18).
What are the key properties of [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2,6-dichlorobenzoate?
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2,6-dichlorobenzoate 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-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2,6-dichlorobenzoate is sourced from PubChem (CID 18128885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).