[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate

C15H15ClN2O6 — CID 18157227

IUPAC[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
SMILESCOc1cc(C(=O)OCC(=O)Nc2cc(C)no2)cc(Cl)c1OC
InChIInChI=1S/C15H15ClN2O6/c1-8-4-13(24-18-8)17-12(19)7-23-15(20)9-5-10(16)14(22-3)11(6-9)21-2/h4-6H,7H2,1-3H3,(H,17,19)
InChIKeyWTPWTKOISYAEJN-UHFFFAOYSA-N
MW354.75 g/mol
LogP2.45
Rot. Bonds6

About [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate

[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate (PubChem CID 18157227) has the molecular formula C15H15ClN2O6 and a molecular weight of 354.75 g/mol. Its IUPAC name is [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate.

Molecular Properties

Compound Name[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
PubChem CID18157227
Molecular FormulaC15H15ClN2O6
Molecular Weight354.75 g/mol
Exact Mass354.06
IUPAC Name[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
SMILESCOc1cc(C(=O)OCC(=O)Nc2cc(C)no2)cc(Cl)c1OC
InChIInChI=1S/C15H15ClN2O6/c1-8-4-13(24-18-8)17-12(19)7-23-15(20)9-5-10(16)14(22-3)11(6-9)21-2/h4-6H,7H2,1-3H3,(H,17,19)
InChIKeyWTPWTKOISYAEJN-UHFFFAOYSA-N
XLogP2.45
TPSA99.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.75
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 7681045
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 18157675
[2-(4-chloroanilino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 2665383
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-chloro-4,5-dimethoxybenzoate
CID 7362805
[2-(4-methoxyanilino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 7681395
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 7681361
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2,6-dichlorobenzoate
CID 18128885
[2-(4-carbamoylanilino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 2499683
[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] 4-methoxy-3-nitrobenzoate
CID 16961857
[2-oxo-2-(propylamino)ethyl] 3-chloro-4,5-dimethoxybenzoate
CID 17497937
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 16600981

Frequently Asked Questions

What is the IUPAC name of [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate?
The IUPAC name of [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate (CID 18157227) is [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate.
What is the SMILES notation for [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate?
The canonical SMILES for [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate is COc1cc(C(=O)OCC(=O)Nc2cc(C)no2)cc(Cl)c1OC.
What is the InChIKey of [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate?
The InChIKey is WTPWTKOISYAEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O6/c1-8-4-13(24-18-8)17-12(19)7-23-15(20)9-5-10(16)14(22-3)11(6-9)21-2/h4-6H,7H2,1-3H3,(H,17,19).
What are the key properties of [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate?
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate has a molecular weight of 354.75 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate is sourced from PubChem (CID 18157227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).