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

C14H13ClN2O5 — CID 47021954

IUPACmethyl 4-chloro-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]benzoate
SMILESCOC(=O)c1ccc(Cl)cc1OCC(=O)Nc1cc(C)on1
InChIInChI=1S/C14H13ClN2O5/c1-8-5-12(17-22-8)16-13(18)7-21-11-6-9(15)3-4-10(11)14(19)20-2/h3-6H,7H2,1-2H3,(H,16,17,18)
InChIKeyARNIENLOFOHGNJ-UHFFFAOYSA-N
MW324.72 g/mol
LogP2.44
Rot. Bonds5

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

methyl 4-chloro-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]benzoate (PubChem CID 47021954) has the molecular formula C14H13ClN2O5 and a molecular weight of 324.72 g/mol. Its IUPAC name is methyl 4-chloro-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]benzoate
PubChem CID47021954
Molecular FormulaC14H13ClN2O5
Molecular Weight324.72 g/mol
Exact Mass324.05
IUPAC Namemethyl 4-chloro-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]benzoate
SMILESCOC(=O)c1ccc(Cl)cc1OCC(=O)Nc1cc(C)on1
InChIInChI=1S/C14H13ClN2O5/c1-8-5-12(17-22-8)16-13(18)7-21-11-6-9(15)3-4-10(11)14(19)20-2/h3-6H,7H2,1-2H3,(H,16,17,18)
InChIKeyARNIENLOFOHGNJ-UHFFFAOYSA-N
XLogP2.44
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.72
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-chloro-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]benzoate with MolForge

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Related Compounds

2-(3-chlorophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2632943
2-(2-benzyl-4-chlorophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7671468
methyl 3-bromo-4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]benzoate
CID 36533845
N-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trichlorophenoxy)acetamide
CID 7894277
2-(2,4-dimethoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 19058874
2-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]phenyl]acetic acid
CID 80723767
3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]pyridine-4-carboxylic acid
CID 81445469
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate
CID 2510840
methyl 2-(2-aminoethoxy)-4-chlorobenzoate
CID 139394772
methyl 2-butoxy-4-chlorobenzoate
CID 78846722
2-(2-formylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7762657
dimethyl 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzene-1,4-dicarboxylate
CID 4804810

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]benzoate?
The IUPAC name of methyl 4-chloro-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]benzoate (CID 47021954) is methyl 4-chloro-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]benzoate.
What is the SMILES notation for methyl 4-chloro-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]benzoate?
The canonical SMILES for methyl 4-chloro-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]benzoate is COC(=O)c1ccc(Cl)cc1OCC(=O)Nc1cc(C)on1.
What is the InChIKey of methyl 4-chloro-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]benzoate?
The InChIKey is ARNIENLOFOHGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O5/c1-8-5-12(17-22-8)16-13(18)7-21-11-6-9(15)3-4-10(11)14(19)20-2/h3-6H,7H2,1-2H3,(H,16,17,18).
What are the key properties of methyl 4-chloro-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]benzoate?
methyl 4-chloro-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]benzoate has a molecular weight of 324.72 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]benzoate is sourced from PubChem (CID 47021954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).