[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

C15H15ClN2O5 — CID 7550177

IUPAC[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCOc1ccc(NC(=O)COC(=O)c2c(C)noc2C)cc1Cl
InChIInChI=1S/C15H15ClN2O5/c1-8-14(9(2)23-18-8)15(20)22-7-13(19)17-10-4-5-12(21-3)11(16)6-10/h4-6H,7H2,1-3H3,(H,17,19)
InChIKeyHRCGFBGXFSUFCP-UHFFFAOYSA-N
MW338.75 g/mol
LogP2.75
Rot. Bonds5

About [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (PubChem CID 7550177) has the molecular formula C15H15ClN2O5 and a molecular weight of 338.75 g/mol. Its IUPAC name is [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
PubChem CID7550177
Molecular FormulaC15H15ClN2O5
Molecular Weight338.75 g/mol
Exact Mass338.07
IUPAC Name[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCOc1ccc(NC(=O)COC(=O)c2c(C)noc2C)cc1Cl
InChIInChI=1S/C15H15ClN2O5/c1-8-14(9(2)23-18-8)15(20)22-7-13(19)17-10-4-5-12(21-3)11(16)6-10/h4-6H,7H2,1-3H3,(H,17,19)
InChIKeyHRCGFBGXFSUFCP-UHFFFAOYSA-N
XLogP2.75
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.75
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3-Methoxyanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2681597
[1-(2-Methoxy-5-nitroanilino)-1-oxopropan-2-yl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 24688051
N-(3-chloro-4-methoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 8152026
[2-(2-Chloro-4-fluoroanilino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 9503715
[2-(4-Chloro-2-methylanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2681387
[2-Oxo-2-(2-phenoxyanilino)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2480772
[2-(5-Chloro-2-phenoxyanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2483287
[2-(3-Chloroanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 2614486
[2-(5-Chloro-2-methoxyanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 2614546
[2-(2-Ethoxyanilino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 7660582
[2-(2,4-Dimethoxyanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2551219
[1-(2-Methoxyanilino)-1-oxopropan-2-yl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 24983229

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (CID 7550177) is [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is COc1ccc(NC(=O)COC(=O)c2c(C)noc2C)cc1Cl.
What is the InChIKey of [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The InChIKey is HRCGFBGXFSUFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O5/c1-8-14(9(2)23-18-8)15(20)22-7-13(19)17-10-4-5-12(21-3)11(16)6-10/h4-6H,7H2,1-3H3,(H,17,19).
What are the key properties of [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate has a molecular weight of 338.75 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 7550177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).